2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxylic acid

2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxylic acid

CAS: 1226460-11-2

Formula: C12H11F3O3

SMILES: OC(=O)C1CC1C1=CC=C(OCC(F)(F)F)C=C1

IUPAC: 2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxylic acid

InChI: InChI=1/C12H11F3O3/c13-12(14,15)6-18-8-3-1-7(2-4-8)9-5-10(9)11(16)17/h1-4,9-10H,5-6H2,(H,16,17)

Composition: C (55.39%), H (4.26%), F (21.90%), O (18.45%)

Molar Mass: 260.212

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	260.066028703
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QYJLJZWFIPKZOS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.6
Topological Polar Surface Area	46.53
Polarizability	21.31
Ring Count	2
Rotatable Bond Count	5

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