4-(difluoromethyl)-2-(4-methylphenyl)thiophene

C12H10F2S — CID 176953091

IUPAC4-(difluoromethyl)-2-(4-methylphenyl)thiophene
SMILESCc1ccc(-c2cc(C(F)F)cs2)cc1
InChIInChI=1S/C12H10F2S/c1-8-2-4-9(5-3-8)11-6-10(7-15-11)12(13)14/h2-7,12H,1H3
InChIKeyKMEVJIISNMOIRO-UHFFFAOYSA-N
MW224.28 g/mol
LogP4.66
Rot. Bonds2

About 4-(difluoromethyl)-2-(4-methylphenyl)thiophene

4-(difluoromethyl)-2-(4-methylphenyl)thiophene (PubChem CID 176953091) has the molecular formula C12H10F2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(4-methylphenyl)thiophene.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(4-methylphenyl)thiophene
PubChem CID176953091
Molecular FormulaC12H10F2S
Molecular Weight224.28 g/mol
Exact Mass224.05
IUPAC Name4-(difluoromethyl)-2-(4-methylphenyl)thiophene
SMILESCc1ccc(-c2cc(C(F)F)cs2)cc1
InChIInChI=1S/C12H10F2S/c1-8-2-4-9(5-3-8)11-6-10(7-15-11)12(13)14/h2-7,12H,1H3
InChIKeyKMEVJIISNMOIRO-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(4-methylphenyl)thiophene?
The IUPAC name of 4-(difluoromethyl)-2-(4-methylphenyl)thiophene (CID 176953091) is 4-(difluoromethyl)-2-(4-methylphenyl)thiophene.
What is the SMILES notation for 4-(difluoromethyl)-2-(4-methylphenyl)thiophene?
The canonical SMILES for 4-(difluoromethyl)-2-(4-methylphenyl)thiophene is Cc1ccc(-c2cc(C(F)F)cs2)cc1.
What is the InChIKey of 4-(difluoromethyl)-2-(4-methylphenyl)thiophene?
The InChIKey is KMEVJIISNMOIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2S/c1-8-2-4-9(5-3-8)11-6-10(7-15-11)12(13)14/h2-7,12H,1H3.
What are the key properties of 4-(difluoromethyl)-2-(4-methylphenyl)thiophene?
4-(difluoromethyl)-2-(4-methylphenyl)thiophene has a molecular weight of 224.28 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(4-methylphenyl)thiophene is sourced from PubChem (CID 176953091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).