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5-(difluoromethyl)thiophene-3-carboxylic acid

5-(difluoromethyl)thiophene-3-carboxylic acid

Formula: C6H4F2O2S

SMILES: OC(=O)C1=CSC(=C1)C(F)F

IUPAC: 5-(difluoromethyl)thiophene-3-carboxylic acid

InChI: InChI=1S/C6H4F2O2S/c7-5(8)4-1-3(2-11-4)6(9)10/h1-2,5H,(H,9,10)

Composition: C (40.45%), H (2.26%), F (21.33%), O (17.96%), S (18.00%)

Molar Mass: 178.15

Atom Count: 15

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 177.990006869
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey SQDKAELWZVQHFZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.29
Topological Polar Surface Area 37.3
Polarizability 13.02
Ring Count 1
Rotatable Bond Count 2

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