1,3-diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate

1,3-diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate

CAS: 1997-28-0

Formula: C14H15F3O4

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

IUPAC: 1,3-diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate

InChI: InChI=1S/C14H15F3O4/c1-3-20-12(18)11(13(19)21-4-2)9-6-5-7-10(8-9)14(15,16)17/h5-8,11H,3-4H2,1-2H3

Composition: C (55.27%), H (4.97%), F (18.73%), O (21.03%)

Molar Mass: 304.265

Atom Count: 36

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	304.092243452
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XUVNJTKVYGCXEY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.67
Topological Polar Surface Area	52.6
Polarizability	26
Ring Count	1
Rotatable Bond Count	8

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