3-(5-fluorocyclohexa-1,5-dien-1-yl)thiopyran

C11H9FS — CID 142854089

IUPAC3-(5-fluorocyclohexa-1,5-dien-1-yl)thiopyran
SMILESFC1=CC(C2=CSC=C=C2)=CCC1
InChIInChI=1S/C11H9FS/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10/h3-4,6-8H,1,5H2
InChIKeyIZPDYDFUSWXCLJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP3.86
Rot. Bonds1

About 3-(5-fluorocyclohexa-1,5-dien-1-yl)thiopyran

3-(5-fluorocyclohexa-1,5-dien-1-yl)thiopyran (PubChem CID 142854089) has the molecular formula C11H9FS and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(5-fluorocyclohexa-1,5-dien-1-yl)thiopyran.

Molecular Properties

Compound Name3-(5-fluorocyclohexa-1,5-dien-1-yl)thiopyran
PubChem CID142854089
Molecular FormulaC11H9FS
Molecular Weight192.26 g/mol
Exact Mass192.04
IUPAC Name3-(5-fluorocyclohexa-1,5-dien-1-yl)thiopyran
SMILESFC1=CC(C2=CSC=C=C2)=CCC1
InChIInChI=1S/C11H9FS/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10/h3-4,6-8H,1,5H2
InChIKeyIZPDYDFUSWXCLJ-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dibenzo[c,e]thiepin
CID 610904
2-Benzothiepine
CID 23288949
(3-Fluorocyclohexa-1,3-dien-1-yl)methanethiol
CID 88283331
(4-Fluorocyclohexa-1,3-dien-1-yl)methanethiol
CID 88283620
(4-Fluorocyclohexa-1,5-dien-1-yl)methanethiol
CID 88562313
5-ethyl-2-fluoro-1-[(Z)-hex-4-en-3-ylidene]-1-methylthiopyran
CID 91181752
5-(4,5-Difluoro-6-methylidenecyclohexa-2,4-dien-1-yl)sulfanyl-1,2-difluoro-6-methylidenecyclohexa-1,3-diene
CID 141168975
6-fluoro-5,8-dimethyl-3H-isothiochromene
CID 144271633
1-Fluoro-4-(methylsulfanylmethyl)cyclohexa-1,3-diene
CID 153601051
5-(4-Fluorocyclohexa-1,3-dien-1-yl)sulfanyl-1,3-dimethylcyclohexa-1,3-diene
CID 167148407
1-Fluoro-2-(methylsulfanylmethyl)cyclohexa-1,3-diene
CID 171806626
(5E)-5-(4-fluorocyclohexa-2,4-dien-1-ylidene)-2H-thiophene
CID 91927670

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluorocyclohexa-1,5-dien-1-yl)thiopyran?
The IUPAC name of 3-(5-fluorocyclohexa-1,5-dien-1-yl)thiopyran (CID 142854089) is 3-(5-fluorocyclohexa-1,5-dien-1-yl)thiopyran.
What is the SMILES notation for 3-(5-fluorocyclohexa-1,5-dien-1-yl)thiopyran?
The canonical SMILES for 3-(5-fluorocyclohexa-1,5-dien-1-yl)thiopyran is FC1=CC(C2=CSC=C=C2)=CCC1.
What is the InChIKey of 3-(5-fluorocyclohexa-1,5-dien-1-yl)thiopyran?
The InChIKey is IZPDYDFUSWXCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FS/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10/h3-4,6-8H,1,5H2.
What are the key properties of 3-(5-fluorocyclohexa-1,5-dien-1-yl)thiopyran?
3-(5-fluorocyclohexa-1,5-dien-1-yl)thiopyran has a molecular weight of 192.26 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluorocyclohexa-1,5-dien-1-yl)thiopyran is sourced from PubChem (CID 142854089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).