methyl (2E)-3-(2,6-difluorophenyl)prop-2-enoate

methyl (2E)-3-(2,6-difluorophenyl)prop-2-enoate

CAS: 1253180-94-7

Formula: C10H8F2O2

SMILES: COC(=O)C=CC1=C(F)C=CC=C1F

IUPAC: methyl (2E)-3-(2,6-difluorophenyl)prop-2-enoate

InChI: InChI=1S/C10H8F2O2/c1-14-10(13)6-5-7-8(11)3-2-4-9(7)12/h2-6H,1H3/b6-5+

Composition: C (60.61%), H (4.07%), F (19.17%), O (16.15%)

Molar Mass: 198.169

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	198.049235824
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	AAFOYRAHPCQEFT-AATRIKPKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.26
Topological Polar Surface Area	26.3
Polarizability	17.66
Ring Count	1
Rotatable Bond Count	3

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