1-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid

1-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid

CAS: 1260823-68-4

Formula: C13H13F3O2

SMILES: OC(=O)C1(CCCC1)C1=CC=C(C=C1)C(F)(F)F

IUPAC: 1-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid

InChI: InChI=1S/C13H13F3O2/c14-13(15,16)10-5-3-9(4-6-10)12(11(17)18)7-1-2-8-12/h3-6H,1-2,7-8H2,(H,17,18)

Composition: C (60.46%), H (5.07%), F (22.07%), O (12.39%)

Molar Mass: 258.24

Atom Count: 31

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	258.086764148
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ANTNDLKRSFWHEP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.81
Topological Polar Surface Area	37.3
Polarizability	22.32
Ring Count	2
Rotatable Bond Count	3

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Acrotein ChemBio Inc.,

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	1260823-68-4		$138.24-$646.08$138.24$215.04$646.08