[(E)-4-fluorohex-3-en-3-yl]sulfanylbenzene

C12H15FS — CID 14792832

IUPAC[(E)-4-fluorohex-3-en-3-yl]sulfanylbenzene
SMILESCC/C(F)=C(/CC)Sc1ccccc1
InChIInChI=1S/C12H15FS/c1-3-11(13)12(4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/b12-11+
InChIKeyOAKRKDCRXXQTRS-VAWYXSNFSA-N
MW210.32 g/mol
LogP4.78
Rot. Bonds4

About [(E)-4-fluorohex-3-en-3-yl]sulfanylbenzene

[(E)-4-fluorohex-3-en-3-yl]sulfanylbenzene (PubChem CID 14792832) has the molecular formula C12H15FS and a molecular weight of 210.32 g/mol. Its IUPAC name is [(E)-4-fluorohex-3-en-3-yl]sulfanylbenzene.

Molecular Properties

Compound Name[(E)-4-fluorohex-3-en-3-yl]sulfanylbenzene
PubChem CID14792832
Molecular FormulaC12H15FS
Molecular Weight210.32 g/mol
Exact Mass210.09
IUPAC Name[(E)-4-fluorohex-3-en-3-yl]sulfanylbenzene
SMILESCC/C(F)=C(/CC)Sc1ccccc1
InChIInChI=1S/C12H15FS/c1-3-11(13)12(4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/b12-11+
InChIKeyOAKRKDCRXXQTRS-VAWYXSNFSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-fluorohex-3-en-3-yl]sulfanylbenzene?
The IUPAC name of [(E)-4-fluorohex-3-en-3-yl]sulfanylbenzene (CID 14792832) is [(E)-4-fluorohex-3-en-3-yl]sulfanylbenzene.
What is the SMILES notation for [(E)-4-fluorohex-3-en-3-yl]sulfanylbenzene?
The canonical SMILES for [(E)-4-fluorohex-3-en-3-yl]sulfanylbenzene is CC/C(F)=C(/CC)Sc1ccccc1.
What is the InChIKey of [(E)-4-fluorohex-3-en-3-yl]sulfanylbenzene?
The InChIKey is OAKRKDCRXXQTRS-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H15FS/c1-3-11(13)12(4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/b12-11+.
What are the key properties of [(E)-4-fluorohex-3-en-3-yl]sulfanylbenzene?
[(E)-4-fluorohex-3-en-3-yl]sulfanylbenzene has a molecular weight of 210.32 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-fluorohex-3-en-3-yl]sulfanylbenzene is sourced from PubChem (CID 14792832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).