methyl 5-(difluoromethyl)thiophene-2-carboxylate

methyl 5-(difluoromethyl)thiophene-2-carboxylate

CAS: 189331-34-8

Formula: C7H6F2O2S

SMILES: COC(=O)C1=CC=C(S1)C(F)F

IUPAC: methyl 5-(difluoromethyl)thiophene-2-carboxylate

InChI: InChI=1S/C7H6F2O2S/c1-11-7(10)5-3-2-4(12-5)6(8)9/h2-3,6H,1H3

Composition: C (43.75%), H (3.15%), F (19.77%), O (16.65%), S (16.68%)

Molar Mass: 192.18

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	192.005656933
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	XDSSBKAZAWFHPM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.84
Topological Polar Surface Area	26.3
Polarizability	15.01
Ring Count	1
Rotatable Bond Count	3

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