ethyl 3-[3-(trifluoromethyl)phenyl]propanoate

ethyl 3-[3-(trifluoromethyl)phenyl]propanoate

CAS: 70311-33-0

Formula: C12H13F3O2

SMILES: CCOC(=O)CCC1=CC=CC(=C1)C(F)(F)F

IUPAC: ethyl 3-[3-(trifluoromethyl)phenyl]propanoate

InChI: InChI=1S/C12H13F3O2/c1-2-17-11(16)7-6-9-4-3-5-10(8-9)12(13,14)15/h3-5,8H,2,6-7H2,1H3

Composition: C (58.54%), H (5.32%), F (23.15%), O (13.00%)

Molar Mass: 246.229

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	246.086764148
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	OUHPHSYPKKLTKJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.46
Topological Polar Surface Area	26.3
Polarizability	21.44
Ring Count	1
Rotatable Bond Count	6

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