2-chloro-6-fluoro-3-methyl-7H-cyclohepta[b]thiophene

C10H8ClFS — CID 142164276

IUPAC2-chloro-6-fluoro-3-methyl-7H-cyclohepta[b]thiophene
SMILESCc1c(Cl)sc2c1=CC=C(F)CC=2
InChIInChI=1S/C10H8ClFS/c1-6-8-4-2-7(12)3-5-9(8)13-10(6)11/h2,4-5H,3H2,1H3
InChIKeyJAEUFXSGEPPWJF-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.53
Rot. Bonds

About 2-chloro-6-fluoro-3-methyl-7H-cyclohepta[b]thiophene

2-chloro-6-fluoro-3-methyl-7H-cyclohepta[b]thiophene (PubChem CID 142164276) has the molecular formula C10H8ClFS and a molecular weight of 214.69 g/mol. Its IUPAC name is 2-chloro-6-fluoro-3-methyl-7H-cyclohepta[b]thiophene.

Molecular Properties

Compound Name2-chloro-6-fluoro-3-methyl-7H-cyclohepta[b]thiophene
PubChem CID142164276
Molecular FormulaC10H8ClFS
Molecular Weight214.69 g/mol
Exact Mass214.00
IUPAC Name2-chloro-6-fluoro-3-methyl-7H-cyclohepta[b]thiophene
SMILESCc1c(Cl)sc2c1=CC=C(F)CC=2
InChIInChI=1S/C10H8ClFS/c1-6-8-4-2-7(12)3-5-9(8)13-10(6)11/h2,4-5H,3H2,1H3
InChIKeyJAEUFXSGEPPWJF-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-3-methyl-7H-cyclohepta[b]thiophene
CID 142164216
6-fluoro-2,3-dimethyl-5H-cyclohepta[b]thiophene
CID 143452518
2,6-dimethyl-5H-cyclohepta[b]thiophene
CID 90360695
ethane;6-fluoro-2,3-dimethyl-5H-cyclohepta[b]thiophene
CID 143452517

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-3-methyl-7H-cyclohepta[b]thiophene?
The IUPAC name of 2-chloro-6-fluoro-3-methyl-7H-cyclohepta[b]thiophene (CID 142164276) is 2-chloro-6-fluoro-3-methyl-7H-cyclohepta[b]thiophene.
What is the SMILES notation for 2-chloro-6-fluoro-3-methyl-7H-cyclohepta[b]thiophene?
The canonical SMILES for 2-chloro-6-fluoro-3-methyl-7H-cyclohepta[b]thiophene is Cc1c(Cl)sc2c1=CC=C(F)CC=2.
What is the InChIKey of 2-chloro-6-fluoro-3-methyl-7H-cyclohepta[b]thiophene?
The InChIKey is JAEUFXSGEPPWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFS/c1-6-8-4-2-7(12)3-5-9(8)13-10(6)11/h2,4-5H,3H2,1H3.
What are the key properties of 2-chloro-6-fluoro-3-methyl-7H-cyclohepta[b]thiophene?
2-chloro-6-fluoro-3-methyl-7H-cyclohepta[b]thiophene has a molecular weight of 214.69 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-3-methyl-7H-cyclohepta[b]thiophene is sourced from PubChem (CID 142164276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).