3,5,7-trifluoroadamantane-1-carboxylic acid

3,5,7-trifluoroadamantane-1-carboxylic acid

CAS: 214557-89-8

Formula: C11H13F3O2

SMILES: OC(=O)C12CC3(F)CC(F)(CC(F)(C3)C1)C2

IUPAC: 3,5,7-trifluoroadamantane-1-carboxylic acid

InChI: InChI=1S/C11H13F3O2/c12-9-1-8(7(15)16)2-10(13,4-9)6-11(14,3-8)5-9/h1-6H2,(H,15,16)

Composition: C (56.41%), H (5.59%), F (24.33%), O (13.66%)

Molar Mass: 234.218

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	234.086764148
Formal Charge	0
FSP3	0.91
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QBRDOUHHJWRTHN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.23
Topological Polar Surface Area	37.3
Polarizability	18.82
Ring Count	3
Rotatable Bond Count	1

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