(Z,2S)-2-fluoro-4-methylsulfanylhept-3-ene

C8H15FS — CID 163948036

IUPAC(Z,2S)-2-fluoro-4-methylsulfanylhept-3-ene
SMILESCCC/C(=C/[C@H](C)F)SC
InChIInChI=1S/C8H15FS/c1-4-5-8(10-3)6-7(2)9/h6-7H,4-5H2,1-3H3/b8-6-/t7-/m0/s1
InChIKeyRWWLVWSPDHNHLW-VQKCLUMFSA-N
MW162.27 g/mol
LogP3.39
Rot. Bonds4

About (Z,2S)-2-fluoro-4-methylsulfanylhept-3-ene

(Z,2S)-2-fluoro-4-methylsulfanylhept-3-ene (PubChem CID 163948036) has the molecular formula C8H15FS and a molecular weight of 162.27 g/mol. Its IUPAC name is (Z,2S)-2-fluoro-4-methylsulfanylhept-3-ene.

Molecular Properties

Compound Name(Z,2S)-2-fluoro-4-methylsulfanylhept-3-ene
PubChem CID163948036
Molecular FormulaC8H15FS
Molecular Weight162.27 g/mol
Exact Mass162.09
IUPAC Name(Z,2S)-2-fluoro-4-methylsulfanylhept-3-ene
SMILESCCC/C(=C/[C@H](C)F)SC
InChIInChI=1S/C8H15FS/c1-4-5-8(10-3)6-7(2)9/h6-7H,4-5H2,1-3H3/b8-6-/t7-/m0/s1
InChIKeyRWWLVWSPDHNHLW-VQKCLUMFSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.27
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z,2S)-2-fluoro-4-methylsulfanylhept-3-ene?
The IUPAC name of (Z,2S)-2-fluoro-4-methylsulfanylhept-3-ene (CID 163948036) is (Z,2S)-2-fluoro-4-methylsulfanylhept-3-ene.
What is the SMILES notation for (Z,2S)-2-fluoro-4-methylsulfanylhept-3-ene?
The canonical SMILES for (Z,2S)-2-fluoro-4-methylsulfanylhept-3-ene is CCC/C(=C/[C@H](C)F)SC.
What is the InChIKey of (Z,2S)-2-fluoro-4-methylsulfanylhept-3-ene?
The InChIKey is RWWLVWSPDHNHLW-VQKCLUMFSA-N. The full InChI is InChI=1S/C8H15FS/c1-4-5-8(10-3)6-7(2)9/h6-7H,4-5H2,1-3H3/b8-6-/t7-/m0/s1.
What are the key properties of (Z,2S)-2-fluoro-4-methylsulfanylhept-3-ene?
(Z,2S)-2-fluoro-4-methylsulfanylhept-3-ene has a molecular weight of 162.27 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-2-fluoro-4-methylsulfanylhept-3-ene is sourced from PubChem (CID 163948036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).