6-(3-fluorocyclohexa-1,5-dien-1-yl)sulfanylhexan-1-ol

C12H19FOS — CID 138723692

IUPAC6-(3-fluorocyclohexa-1,5-dien-1-yl)sulfanylhexan-1-ol
SMILESOCCCCCCSC1=CC(F)CC=C1
InChIInChI=1S/C12H19FOS/c13-11-6-5-7-12(10-11)15-9-4-2-1-3-8-14/h5,7,10-11,14H,1-4,6,8-9H2
InChIKeyFGCWNCSZPUFVNF-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.45
Rot. Bonds7

About 6-(3-fluorocyclohexa-1,5-dien-1-yl)sulfanylhexan-1-ol

6-(3-fluorocyclohexa-1,5-dien-1-yl)sulfanylhexan-1-ol (PubChem CID 138723692) has the molecular formula C12H19FOS and a molecular weight of 230.35 g/mol. Its IUPAC name is 6-(3-fluorocyclohexa-1,5-dien-1-yl)sulfanylhexan-1-ol.

Molecular Properties

Compound Name6-(3-fluorocyclohexa-1,5-dien-1-yl)sulfanylhexan-1-ol
PubChem CID138723692
Molecular FormulaC12H19FOS
Molecular Weight230.35 g/mol
Exact Mass230.11
IUPAC Name6-(3-fluorocyclohexa-1,5-dien-1-yl)sulfanylhexan-1-ol
SMILESOCCCCCCSC1=CC(F)CC=C1
InChIInChI=1S/C12H19FOS/c13-11-6-5-7-12(10-11)15-9-4-2-1-3-8-14/h5,7,10-11,14H,1-4,6,8-9H2
InChIKeyFGCWNCSZPUFVNF-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-fluorophenyl)sulfanylpentan-1-ol
CID 62228825
2-(5-cyclopenta-2,4-dien-1-ylsulfanylpentylsulfanyl)cyclopenta-1,3-diene
CID 135850253
5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol
CID 110911807
5-pyrazin-2-ylsulfanylpentan-1-ol
CID 63380763
5-(2,5-difluorophenyl)sulfanylpentan-1-ol
CID 62226939
6-(7H-purin-6-ylsulfanyl)hexan-1-ol
CID 103736339
9-(9-hydroxynonylsulfanyl)nonan-1-ol
CID 155127930
2-(4-cyclopenta-2,4-dien-1-ylsulfanylbutylsulfanyl)cyclopenta-1,3-diene
CID 135850252
6-(2-chlorophenyl)sulfanylhexan-1-ol
CID 103736267
6-[4-(1-hydroxyethyl)phenyl]sulfanylhexan-1-ol
CID 107707278
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorocyclohexa-1,5-dien-1-yl)sulfanylhexan-1-ol?
The IUPAC name of 6-(3-fluorocyclohexa-1,5-dien-1-yl)sulfanylhexan-1-ol (CID 138723692) is 6-(3-fluorocyclohexa-1,5-dien-1-yl)sulfanylhexan-1-ol.
What is the SMILES notation for 6-(3-fluorocyclohexa-1,5-dien-1-yl)sulfanylhexan-1-ol?
The canonical SMILES for 6-(3-fluorocyclohexa-1,5-dien-1-yl)sulfanylhexan-1-ol is OCCCCCCSC1=CC(F)CC=C1.
What is the InChIKey of 6-(3-fluorocyclohexa-1,5-dien-1-yl)sulfanylhexan-1-ol?
The InChIKey is FGCWNCSZPUFVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FOS/c13-11-6-5-7-12(10-11)15-9-4-2-1-3-8-14/h5,7,10-11,14H,1-4,6,8-9H2.
What are the key properties of 6-(3-fluorocyclohexa-1,5-dien-1-yl)sulfanylhexan-1-ol?
6-(3-fluorocyclohexa-1,5-dien-1-yl)sulfanylhexan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorocyclohexa-1,5-dien-1-yl)sulfanylhexan-1-ol is sourced from PubChem (CID 138723692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).