methyl 2,4-bis(trifluoromethyl)benzoate

methyl 2,4-bis(trifluoromethyl)benzoate

CAS: 50870-31-0

Formula: C10H6F6O2

SMILES: COC(=O)C1=CC=C(C=C1C(F)(F)F)C(F)(F)F

IUPAC: methyl 2,4-bis(trifluoromethyl)benzoate

InChI: InChI=1S/C10H6F6O2/c1-18-8(17)6-3-2-5(9(11,12)13)4-7(6)10(14,15)16/h2-4H,1H3

Composition: C (44.13%), H (2.22%), F (41.89%), O (11.76%)

Molar Mass: 272.146

Atom Count: 24

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	272.027198411
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	UGGIYQMLYGKWNZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.03
Topological Polar Surface Area	26.3
Polarizability	17.71
Ring Count	1
Rotatable Bond Count	4

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