2-chloro-4-(difluoromethyl)-3-methylthiophene

C6H5ClF2S — CID 163736746

IUPAC2-chloro-4-(difluoromethyl)-3-methylthiophene
SMILESCc1c(C(F)F)csc1Cl
InChIInChI=1S/C6H5ClF2S/c1-3-4(6(8)9)2-10-5(3)7/h2,6H,1H3
InChIKeyLEGSKKOJEJXUSY-UHFFFAOYSA-N
MW182.62 g/mol
LogP3.65
Rot. Bonds1

About 2-chloro-4-(difluoromethyl)-3-methylthiophene

2-chloro-4-(difluoromethyl)-3-methylthiophene (PubChem CID 163736746) has the molecular formula C6H5ClF2S and a molecular weight of 182.62 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethyl)-3-methylthiophene.

Molecular Properties

Compound Name2-chloro-4-(difluoromethyl)-3-methylthiophene
PubChem CID163736746
Molecular FormulaC6H5ClF2S
Molecular Weight182.62 g/mol
Exact Mass181.98
IUPAC Name2-chloro-4-(difluoromethyl)-3-methylthiophene
SMILESCc1c(C(F)F)csc1Cl
InChIInChI=1S/C6H5ClF2S/c1-3-4(6(8)9)2-10-5(3)7/h2,6H,1H3
InChIKeyLEGSKKOJEJXUSY-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.62
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(difluoromethyl)-3-methylthiophene?
The IUPAC name of 2-chloro-4-(difluoromethyl)-3-methylthiophene (CID 163736746) is 2-chloro-4-(difluoromethyl)-3-methylthiophene.
What is the SMILES notation for 2-chloro-4-(difluoromethyl)-3-methylthiophene?
The canonical SMILES for 2-chloro-4-(difluoromethyl)-3-methylthiophene is Cc1c(C(F)F)csc1Cl.
What is the InChIKey of 2-chloro-4-(difluoromethyl)-3-methylthiophene?
The InChIKey is LEGSKKOJEJXUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2S/c1-3-4(6(8)9)2-10-5(3)7/h2,6H,1H3.
What are the key properties of 2-chloro-4-(difluoromethyl)-3-methylthiophene?
2-chloro-4-(difluoromethyl)-3-methylthiophene has a molecular weight of 182.62 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(difluoromethyl)-3-methylthiophene is sourced from PubChem (CID 163736746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).