(E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol

C8H15FS — CID 130392781

IUPAC(E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol
SMILESCC/C(=C\C(C)(C)F)CS
InChIInChI=1S/C8H15FS/c1-4-7(6-10)5-8(2,3)9/h5,10H,4,6H2,1-3H3/b7-5+
InChIKeyZTXCKJPMINULPP-FNORWQNLSA-N
MW162.27 g/mol
LogP3.00
Rot. Bonds3

About (E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol

(E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol (PubChem CID 130392781) has the molecular formula C8H15FS and a molecular weight of 162.27 g/mol. Its IUPAC name is (E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol.

Molecular Properties

Compound Name(E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol
PubChem CID130392781
Molecular FormulaC8H15FS
Molecular Weight162.27 g/mol
Exact Mass162.09
IUPAC Name(E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol
SMILESCC/C(=C\C(C)(C)F)CS
InChIInChI=1S/C8H15FS/c1-4-7(6-10)5-8(2,3)9/h5,10H,4,6H2,1-3H3/b7-5+
InChIKeyZTXCKJPMINULPP-FNORWQNLSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol?
The IUPAC name of (E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol (CID 130392781) is (E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol.
What is the SMILES notation for (E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol?
The canonical SMILES for (E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol is CC/C(=C\C(C)(C)F)CS.
What is the InChIKey of (E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol?
The InChIKey is ZTXCKJPMINULPP-FNORWQNLSA-N. The full InChI is InChI=1S/C8H15FS/c1-4-7(6-10)5-8(2,3)9/h5,10H,4,6H2,1-3H3/b7-5+.
What are the key properties of (E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol?
(E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol has a molecular weight of 162.27 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol is sourced from PubChem (CID 130392781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).