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

C10H9FS — CID 142164216

IUPAC6-fluoro-3-methyl-7H-cyclohepta[b]thiophene
SMILESCc1csc2c1=CC=C(F)CC=2
InChIInChI=1S/C10H9FS/c1-7-6-12-10-5-3-8(11)2-4-9(7)10/h2,4-6H,3H2,1H3
InChIKeyGLNSGOZWGYDRDV-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.87
Rot. Bonds

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

6-fluoro-3-methyl-7H-cyclohepta[b]thiophene (PubChem CID 142164216) has the molecular formula C10H9FS and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-fluoro-3-methyl-7H-cyclohepta[b]thiophene.

Molecular Properties

Compound Name6-fluoro-3-methyl-7H-cyclohepta[b]thiophene
PubChem CID142164216
Molecular FormulaC10H9FS
Molecular Weight180.25 g/mol
Exact Mass180.04
IUPAC Name6-fluoro-3-methyl-7H-cyclohepta[b]thiophene
SMILESCc1csc2c1=CC=C(F)CC=2
InChIInChI=1S/C10H9FS/c1-7-6-12-10-5-3-8(11)2-4-9(7)10/h2,4-6H,3H2,1H3
InChIKeyGLNSGOZWGYDRDV-UHFFFAOYSA-N
XLogP1.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Thiaazulene
CID 22111386
Cyclohepta[c]thiophene
CID 129673588
7-Fluoro-7-methyl-2-(propan-2-ylsulfanylmethyl)cyclohepta-1,3,5-triene
CID 70967274
6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene
CID 89233565
13-Fluoro-5-thiatricyclo[8.4.0.02,6]tetradeca-1,3,6,8,10,13-hexaene
CID 91527849
2,4,5-Trimethyl-1-(2,2,2-trifluoroethylsulfanyl)cyclohepta-1,3,5-triene
CID 134569633
7-(2-Fluoro-2-methylpropyl)sulfanyl-2-methylcyclohepta-1,3-diene
CID 134569707
2-[(2Z,3Z,5Z)-2-(fluoromethylidene)hepta-3,5-dienyl]sulfanyl-1-methylcyclohepta-1,3,5-triene
CID 139457504
3-Fluoro-4-(propylsulfanylmethyl)cyclohepta-1,3,5-triene
CID 139457690
2-chloro-6-fluoro-3-methyl-7H-cyclohepta[b]thiophene
CID 142164276
(3Z)-4-methyl-3-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]thiophene
CID 142164344
3-methyl-7-(trifluoromethyl)-3aH-cyclohepta[b]thiophene
CID 142164542

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-7H-cyclohepta[b]thiophene?
The IUPAC name of 6-fluoro-3-methyl-7H-cyclohepta[b]thiophene (CID 142164216) is 6-fluoro-3-methyl-7H-cyclohepta[b]thiophene.
What is the SMILES notation for 6-fluoro-3-methyl-7H-cyclohepta[b]thiophene?
The canonical SMILES for 6-fluoro-3-methyl-7H-cyclohepta[b]thiophene is Cc1csc2c1=CC=C(F)CC=2.
What is the InChIKey of 6-fluoro-3-methyl-7H-cyclohepta[b]thiophene?
The InChIKey is GLNSGOZWGYDRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FS/c1-7-6-12-10-5-3-8(11)2-4-9(7)10/h2,4-6H,3H2,1H3.
What are the key properties of 6-fluoro-3-methyl-7H-cyclohepta[b]thiophene?
6-fluoro-3-methyl-7H-cyclohepta[b]thiophene has a molecular weight of 180.25 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-7H-cyclohepta[b]thiophene is sourced from PubChem (CID 142164216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).