(Z)-3-fluoro-3-hexylsulfanylprop-2-en-1-ol

C9H17FOS — CID 88619235

IUPAC(Z)-3-fluoro-3-hexylsulfanylprop-2-en-1-ol
SMILESCCCCCCS/C(F)=C\CO
InChIInChI=1S/C9H17FOS/c1-2-3-4-5-8-12-9(10)6-7-11/h6,11H,2-5,7-8H2,1H3/b9-6-
InChIKeyOXOICTFXOLSWLG-TWGQIWQCSA-N
MW192.30 g/mol
LogP3.10
Rot. Bonds7

About (Z)-3-fluoro-3-hexylsulfanylprop-2-en-1-ol

(Z)-3-fluoro-3-hexylsulfanylprop-2-en-1-ol (PubChem CID 88619235) has the molecular formula C9H17FOS and a molecular weight of 192.30 g/mol. Its IUPAC name is (Z)-3-fluoro-3-hexylsulfanylprop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-fluoro-3-hexylsulfanylprop-2-en-1-ol
PubChem CID88619235
Molecular FormulaC9H17FOS
Molecular Weight192.30 g/mol
Exact Mass192.10
IUPAC Name(Z)-3-fluoro-3-hexylsulfanylprop-2-en-1-ol
SMILESCCCCCCS/C(F)=C\CO
InChIInChI=1S/C9H17FOS/c1-2-3-4-5-8-12-9(10)6-7-11/h6,11H,2-5,7-8H2,1H3/b9-6-
InChIKeyOXOICTFXOLSWLG-TWGQIWQCSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.10
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-3-hexylsulfanylprop-2-en-1-ol?
The IUPAC name of (Z)-3-fluoro-3-hexylsulfanylprop-2-en-1-ol (CID 88619235) is (Z)-3-fluoro-3-hexylsulfanylprop-2-en-1-ol.
What is the SMILES notation for (Z)-3-fluoro-3-hexylsulfanylprop-2-en-1-ol?
The canonical SMILES for (Z)-3-fluoro-3-hexylsulfanylprop-2-en-1-ol is CCCCCCS/C(F)=C\CO.
What is the InChIKey of (Z)-3-fluoro-3-hexylsulfanylprop-2-en-1-ol?
The InChIKey is OXOICTFXOLSWLG-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H17FOS/c1-2-3-4-5-8-12-9(10)6-7-11/h6,11H,2-5,7-8H2,1H3/b9-6-.
What are the key properties of (Z)-3-fluoro-3-hexylsulfanylprop-2-en-1-ol?
(Z)-3-fluoro-3-hexylsulfanylprop-2-en-1-ol has a molecular weight of 192.30 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-3-hexylsulfanylprop-2-en-1-ol is sourced from PubChem (CID 88619235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).