[(E)-5-fluorooct-4-en-4-yl]sulfanylbenzene

C14H19FS — CID 14792834

IUPAC[(E)-5-fluorooct-4-en-4-yl]sulfanylbenzene
SMILESCCC/C(F)=C(/CCC)Sc1ccccc1
InChIInChI=1S/C14H19FS/c1-3-8-13(15)14(9-4-2)16-12-10-6-5-7-11-12/h5-7,10-11H,3-4,8-9H2,1-2H3/b14-13+
InChIKeyXDFLSZNMPGQCSO-BUHFOSPRSA-N
MW238.37 g/mol
LogP5.56
Rot. Bonds6

About [(E)-5-fluorooct-4-en-4-yl]sulfanylbenzene

[(E)-5-fluorooct-4-en-4-yl]sulfanylbenzene (PubChem CID 14792834) has the molecular formula C14H19FS and a molecular weight of 238.37 g/mol. Its IUPAC name is [(E)-5-fluorooct-4-en-4-yl]sulfanylbenzene.

Molecular Properties

Compound Name[(E)-5-fluorooct-4-en-4-yl]sulfanylbenzene
PubChem CID14792834
Molecular FormulaC14H19FS
Molecular Weight238.37 g/mol
Exact Mass238.12
IUPAC Name[(E)-5-fluorooct-4-en-4-yl]sulfanylbenzene
SMILESCCC/C(F)=C(/CCC)Sc1ccccc1
InChIInChI=1S/C14H19FS/c1-3-8-13(15)14(9-4-2)16-12-10-6-5-7-11-12/h5-7,10-11H,3-4,8-9H2,1-2H3/b14-13+
InChIKeyXDFLSZNMPGQCSO-BUHFOSPRSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Thioanisole
CID 7520
Diphenyl sulfide
CID 8766
Phenyl Vinyl Sulfide
CID 74572
(Ethylthio)benzene
CID 12144
Phenyl propyl sulfide
CID 13407
Cyclopropyl phenyl sulfide
CID 123348
Ethanethioic acid, S-phenyl ester
CID 13630
1-Fluoro-4-(methylthio)benzene
CID 3083565
S-Allylthiobenzene
CID 79180
Benzene, (butylthio)-
CID 136905
Ethylphenylsulfoxide
CID 138143
Prenylphenyl sulfide
CID 329234

Frequently Asked Questions

What is the IUPAC name of [(E)-5-fluorooct-4-en-4-yl]sulfanylbenzene?
The IUPAC name of [(E)-5-fluorooct-4-en-4-yl]sulfanylbenzene (CID 14792834) is [(E)-5-fluorooct-4-en-4-yl]sulfanylbenzene.
What is the SMILES notation for [(E)-5-fluorooct-4-en-4-yl]sulfanylbenzene?
The canonical SMILES for [(E)-5-fluorooct-4-en-4-yl]sulfanylbenzene is CCC/C(F)=C(/CCC)Sc1ccccc1.
What is the InChIKey of [(E)-5-fluorooct-4-en-4-yl]sulfanylbenzene?
The InChIKey is XDFLSZNMPGQCSO-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H19FS/c1-3-8-13(15)14(9-4-2)16-12-10-6-5-7-11-12/h5-7,10-11H,3-4,8-9H2,1-2H3/b14-13+.
What are the key properties of [(E)-5-fluorooct-4-en-4-yl]sulfanylbenzene?
[(E)-5-fluorooct-4-en-4-yl]sulfanylbenzene has a molecular weight of 238.37 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-fluorooct-4-en-4-yl]sulfanylbenzene is sourced from PubChem (CID 14792834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).