2-chloro-3-methyl-4-(trifluoromethyl)thiophene

C6H4ClF3S — CID 163531877

IUPAC2-chloro-3-methyl-4-(trifluoromethyl)thiophene
SMILESCc1c(C(F)(F)F)csc1Cl
InChIInChI=1S/C6H4ClF3S/c1-3-4(6(8,9)10)2-11-5(3)7/h2H,1H3
InChIKeyDTRHGRGUMSWCJQ-UHFFFAOYSA-N
MW200.61 g/mol
LogP3.73
Rot. Bonds

About 2-chloro-3-methyl-4-(trifluoromethyl)thiophene

2-chloro-3-methyl-4-(trifluoromethyl)thiophene (PubChem CID 163531877) has the molecular formula C6H4ClF3S and a molecular weight of 200.61 g/mol. Its IUPAC name is 2-chloro-3-methyl-4-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name2-chloro-3-methyl-4-(trifluoromethyl)thiophene
PubChem CID163531877
Molecular FormulaC6H4ClF3S
Molecular Weight200.61 g/mol
Exact Mass199.97
IUPAC Name2-chloro-3-methyl-4-(trifluoromethyl)thiophene
SMILESCc1c(C(F)(F)F)csc1Cl
InChIInChI=1S/C6H4ClF3S/c1-3-4(6(8,9)10)2-11-5(3)7/h2H,1H3
InChIKeyDTRHGRGUMSWCJQ-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.61
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-4-(trifluoromethyl)thiophene?
The IUPAC name of 2-chloro-3-methyl-4-(trifluoromethyl)thiophene (CID 163531877) is 2-chloro-3-methyl-4-(trifluoromethyl)thiophene.
What is the SMILES notation for 2-chloro-3-methyl-4-(trifluoromethyl)thiophene?
The canonical SMILES for 2-chloro-3-methyl-4-(trifluoromethyl)thiophene is Cc1c(C(F)(F)F)csc1Cl.
What is the InChIKey of 2-chloro-3-methyl-4-(trifluoromethyl)thiophene?
The InChIKey is DTRHGRGUMSWCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3S/c1-3-4(6(8,9)10)2-11-5(3)7/h2H,1H3.
What are the key properties of 2-chloro-3-methyl-4-(trifluoromethyl)thiophene?
2-chloro-3-methyl-4-(trifluoromethyl)thiophene has a molecular weight of 200.61 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-4-(trifluoromethyl)thiophene is sourced from PubChem (CID 163531877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).