6-fluoro-2,3-dimethyl-5H-cyclohepta[b]thiophene

C11H11FS — CID 143452518

IUPAC6-fluoro-2,3-dimethyl-5H-cyclohepta[b]thiophene
SMILESCc1sc2c(c1C)=CCC(F)=CC=2
InChIInChI=1S/C11H11FS/c1-7-8(2)13-11-6-4-9(12)3-5-10(7)11/h4-6H,3H2,1-2H3
InChIKeyAGUBPRNAEUPGNP-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.18
Rot. Bonds

About 6-fluoro-2,3-dimethyl-5H-cyclohepta[b]thiophene

6-fluoro-2,3-dimethyl-5H-cyclohepta[b]thiophene (PubChem CID 143452518) has the molecular formula C11H11FS and a molecular weight of 194.27 g/mol. Its IUPAC name is 6-fluoro-2,3-dimethyl-5H-cyclohepta[b]thiophene.

Molecular Properties

Compound Name6-fluoro-2,3-dimethyl-5H-cyclohepta[b]thiophene
PubChem CID143452518
Molecular FormulaC11H11FS
Molecular Weight194.27 g/mol
Exact Mass194.06
IUPAC Name6-fluoro-2,3-dimethyl-5H-cyclohepta[b]thiophene
SMILESCc1sc2c(c1C)=CCC(F)=CC=2
InChIInChI=1S/C11H11FS/c1-7-8(2)13-11-6-4-9(12)3-5-10(7)11/h4-6H,3H2,1-2H3
InChIKeyAGUBPRNAEUPGNP-UHFFFAOYSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

13-Fluoro-5-thiatricyclo[8.4.0.02,6]tetradeca-1,3,6,8,10,13-hexaene
CID 91527849
2-Ethylidene-3-methylidene-5-(2,2,2-trifluoroethyl)thiophene
CID 123823833
5-(2,2-Difluoropropyl)-2-methylidene-3-propan-2-ylidenethiophene
CID 134364769
3-Fluoro-4-(propylsulfanylmethyl)cyclohepta-1,3,5-triene
CID 139457690
6-fluoro-3-methyl-7H-cyclohepta[b]thiophene
CID 142164216
2-chloro-6-fluoro-3-methyl-7H-cyclohepta[b]thiophene
CID 142164276
(2E)-2-[(4E)-5,6-difluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-[(E)-prop-1-enyl]thiophene
CID 145203814
(2E)-2-[(4Z)-6-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-propylthiophene
CID 145203819
(2Z)-3-methylidene-5-propyl-2-[(4E)-1,5,6-trifluoro-2,3-dimethylidenehepta-4,6-dienylidene]thiophene
CID 145203831
(2Z,4E)-5-buta-1,3-dien-2-ylsulfanyl-7-fluoro-7-methyl-6-methylideneocta-2,4-diene
CID 156057037
(3Z)-3-[(2E)-2-fluoro-3-methylpenta-2,4-dienylidene]-5-methylthiophene
CID 163415117
(2Z,5Z)-2,5-bis(1-fluoro-2-methylprop-2-enylidene)-3,4-dimethylidenethiolane
CID 142363332

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3-dimethyl-5H-cyclohepta[b]thiophene?
The IUPAC name of 6-fluoro-2,3-dimethyl-5H-cyclohepta[b]thiophene (CID 143452518) is 6-fluoro-2,3-dimethyl-5H-cyclohepta[b]thiophene.
What is the SMILES notation for 6-fluoro-2,3-dimethyl-5H-cyclohepta[b]thiophene?
The canonical SMILES for 6-fluoro-2,3-dimethyl-5H-cyclohepta[b]thiophene is Cc1sc2c(c1C)=CCC(F)=CC=2.
What is the InChIKey of 6-fluoro-2,3-dimethyl-5H-cyclohepta[b]thiophene?
The InChIKey is AGUBPRNAEUPGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FS/c1-7-8(2)13-11-6-4-9(12)3-5-10(7)11/h4-6H,3H2,1-2H3.
What are the key properties of 6-fluoro-2,3-dimethyl-5H-cyclohepta[b]thiophene?
6-fluoro-2,3-dimethyl-5H-cyclohepta[b]thiophene has a molecular weight of 194.27 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3-dimethyl-5H-cyclohepta[b]thiophene is sourced from PubChem (CID 143452518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).