7-chloro-2-fluoro-4-methyl-1-benzothiophene

C9H6ClFS — CID 131169637

IUPAC7-chloro-2-fluoro-4-methyl-1-benzothiophene
SMILESCc1ccc(Cl)c2sc(F)cc12
InChIInChI=1S/C9H6ClFS/c1-5-2-3-7(10)9-6(5)4-8(11)12-9/h2-4H,1H3
InChIKeyYPIKYWDACDXPRA-UHFFFAOYSA-N
MW200.67 g/mol
LogP4.00
Rot. Bonds

About 7-chloro-2-fluoro-4-methyl-1-benzothiophene

7-chloro-2-fluoro-4-methyl-1-benzothiophene (PubChem CID 131169637) has the molecular formula C9H6ClFS and a molecular weight of 200.67 g/mol. Its IUPAC name is 7-chloro-2-fluoro-4-methyl-1-benzothiophene.

Molecular Properties

Compound Name7-chloro-2-fluoro-4-methyl-1-benzothiophene
PubChem CID131169637
Molecular FormulaC9H6ClFS
Molecular Weight200.67 g/mol
Exact Mass199.99
IUPAC Name7-chloro-2-fluoro-4-methyl-1-benzothiophene
SMILESCc1ccc(Cl)c2sc(F)cc12
InChIInChI=1S/C9H6ClFS/c1-5-2-3-7(10)9-6(5)4-8(11)12-9/h2-4H,1H3
InChIKeyYPIKYWDACDXPRA-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-methoxy-5-methyl-1-benzothiophene
CID 130803509
2-(2-fluoro-4-methyl-1-benzothiophen-7-yl)acetonitrile
CID 130805533
4-chloro-2-fluoro-1-benzothiophen-7-ol
CID 130865403
4-chloro-2-fluoro-1-benzothiophene-7-carbaldehyde
CID 131030879
4-[5-(7-chloro-4-methyl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]benzoic acid
CID 18709785
7-chloro-5-fluoro-3-iodo-2-methyl-1-benzothiophene
CID 142472643
7-chloro-5-fluoro-3-methyl-1-benzothiophene
CID 91881897
7-chloro-5-fluoro-2-methyl-1-benzothiophene-3-carbaldehyde
CID 135380136
(6-chloro-2-fluoro-3-methylphenyl)boronic acid
CID 3664842
5-fluoro-3-methylthieno[3,2-b]thiophene
CID 129149047
2,3-dichloro-5-fluorothiophene
CID 129040028
4,6-difluoro-3,7-dimethyldibenzothiophene;ethane
CID 158727603

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-fluoro-4-methyl-1-benzothiophene?
The IUPAC name of 7-chloro-2-fluoro-4-methyl-1-benzothiophene (CID 131169637) is 7-chloro-2-fluoro-4-methyl-1-benzothiophene.
What is the SMILES notation for 7-chloro-2-fluoro-4-methyl-1-benzothiophene?
The canonical SMILES for 7-chloro-2-fluoro-4-methyl-1-benzothiophene is Cc1ccc(Cl)c2sc(F)cc12.
What is the InChIKey of 7-chloro-2-fluoro-4-methyl-1-benzothiophene?
The InChIKey is YPIKYWDACDXPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFS/c1-5-2-3-7(10)9-6(5)4-8(11)12-9/h2-4H,1H3.
What are the key properties of 7-chloro-2-fluoro-4-methyl-1-benzothiophene?
7-chloro-2-fluoro-4-methyl-1-benzothiophene has a molecular weight of 200.67 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-fluoro-4-methyl-1-benzothiophene is sourced from PubChem (CID 131169637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).