Name: Name:2-[3-(trifluoromethyl)adamantan-1-yl]acetic acid
Brand: Angene
SKU: AG01A434
Rating: 90 (10 reviews)

2-[3-(trifluoromethyl)adamantan-1-yl]acetic acid

CAS No.:

1432681-80-5

Catalog Number:

AG01A434

Molecular Formula:

C13H17F3O2

Molecular Weight:

262.2681

Catalog Number:

AG01A434

Chemical Name:

2-[3-(trifluoromethyl)adamantan-1-yl]acetic acid

CAS Number:

1432681-80-5

Molecular Formula:

C13H17F3O2

Molecular Weight:

262.2681

MDL Number:

MFCD24369097

IUPAC Name:

2-[3-(trifluoromethyl)-1-adamantyl]acetic acid

InChI:

InChI=1S/C13H17F3O2/c14-13(15,16)12-4-8-1-9(5-12)3-11(2-8,7-12)6-10(17)18/h8-9H,1-7H2,(H,17,18)

InChI Key:

SLUXYLRGKSQUCW-UHFFFAOYSA-N

SMILES:

OC(=O)CC12CC3CC(C1)CC(C2)(C3)C(F)(F)F

Complexity:

374

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

262.118g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

262.272g/mol

Monoisotopic Mass:

262.118g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6