3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid

3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid

CAS: 2062-26-2

Formula: C10H7F3O2

SMILES: OC(=O)C=CC1=CC=C(C=C1)C(F)(F)F

IUPAC: 3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid

InChI: InChI=1S/C10H7F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)

Composition: C (55.57%), H (3.26%), F (26.37%), O (14.80%)

Molar Mass: 216.159

Atom Count: 22

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	216.039813954
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ANRMAUMHJREENI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.03
Topological Polar Surface Area	37.3
Polarizability	17.36
Ring Count	1
Rotatable Bond Count	3

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