7-chloro-4-(difluoromethyl)-5-methyl-1-benzothiophene

C10H7ClF2S — CID 131053830

IUPAC7-chloro-4-(difluoromethyl)-5-methyl-1-benzothiophene
SMILESCc1cc(Cl)c2sccc2c1C(F)F
InChIInChI=1S/C10H7ClF2S/c1-5-4-7(11)9-6(2-3-14-9)8(5)10(12)13/h2-4,10H,1H3
InChIKeyFKMPADWVPGEBTO-UHFFFAOYSA-N
MW232.68 g/mol
LogP4.80
Rot. Bonds1

About 7-chloro-4-(difluoromethyl)-5-methyl-1-benzothiophene

7-chloro-4-(difluoromethyl)-5-methyl-1-benzothiophene (PubChem CID 131053830) has the molecular formula C10H7ClF2S and a molecular weight of 232.68 g/mol. Its IUPAC name is 7-chloro-4-(difluoromethyl)-5-methyl-1-benzothiophene.

Molecular Properties

Compound Name7-chloro-4-(difluoromethyl)-5-methyl-1-benzothiophene
PubChem CID131053830
Molecular FormulaC10H7ClF2S
Molecular Weight232.68 g/mol
Exact Mass231.99
IUPAC Name7-chloro-4-(difluoromethyl)-5-methyl-1-benzothiophene
SMILESCc1cc(Cl)c2sccc2c1C(F)F
InChIInChI=1S/C10H7ClF2S/c1-5-4-7(11)9-6(2-3-14-9)8(5)10(12)13/h2-4,10H,1H3
InChIKeyFKMPADWVPGEBTO-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.68
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-4-(difluoromethyl)-1-benzothiophene-7-thiol
CID 130956720
7-chloro-5-fluoro-4-methyl-1-benzothiophene
CID 131034041
4,7-dichloro-6-(difluoromethyl)-1-benzothiophene
CID 130785826
7-(difluoromethyl)-4-iodo-5-methyl-1-benzothiophene
CID 131215693
5-chloro-7-methyl-4-nitro-1-benzothiophene
CID 131091408
7-chloro-5-ethyl-4-methoxy-1-benzothiophene
CID 130971610
4-chloro-5-(difluoromethyl)-1-benzothiophen-7-amine
CID 130926303
7-bromo-5-chloro-4-methyl-1-benzothiophene
CID 130969844
7-chloro-5-methyl-1-benzothiophene
CID 66806727
4,7-dichloro-1-benzothiophene-5-carbonitrile
CID 91882062
7-chloro-4-propyl-1-benzothiophene
CID 123468931
4,5-dichloro-7-methylsulfanyl-1-benzothiophene
CID 130825861

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(difluoromethyl)-5-methyl-1-benzothiophene?
The IUPAC name of 7-chloro-4-(difluoromethyl)-5-methyl-1-benzothiophene (CID 131053830) is 7-chloro-4-(difluoromethyl)-5-methyl-1-benzothiophene.
What is the SMILES notation for 7-chloro-4-(difluoromethyl)-5-methyl-1-benzothiophene?
The canonical SMILES for 7-chloro-4-(difluoromethyl)-5-methyl-1-benzothiophene is Cc1cc(Cl)c2sccc2c1C(F)F.
What is the InChIKey of 7-chloro-4-(difluoromethyl)-5-methyl-1-benzothiophene?
The InChIKey is FKMPADWVPGEBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2S/c1-5-4-7(11)9-6(2-3-14-9)8(5)10(12)13/h2-4,10H,1H3.
What are the key properties of 7-chloro-4-(difluoromethyl)-5-methyl-1-benzothiophene?
7-chloro-4-(difluoromethyl)-5-methyl-1-benzothiophene has a molecular weight of 232.68 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(difluoromethyl)-5-methyl-1-benzothiophene is sourced from PubChem (CID 131053830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).