1-[(E)-1-fluoro-3-methoxyprop-1-enyl]sulfinylhexane

C10H19FO2S — CID 14821691

IUPAC1-[(E)-1-fluoro-3-methoxyprop-1-enyl]sulfinylhexane
SMILESCCCCCCS(=O)/C(F)=C/COC
InChIInChI=1S/C10H19FO2S/c1-3-4-5-6-9-14(12)10(11)7-8-13-2/h7H,3-6,8-9H2,1-2H3/b10-7+
InChIKeyFYWSEFVRZVNSHZ-JXMROGBWSA-N
MW222.32 g/mol
LogP2.77
Rot. Bonds8

About 1-[(E)-1-fluoro-3-methoxyprop-1-enyl]sulfinylhexane

1-[(E)-1-fluoro-3-methoxyprop-1-enyl]sulfinylhexane (PubChem CID 14821691) has the molecular formula C10H19FO2S and a molecular weight of 222.32 g/mol. Its IUPAC name is 1-[(E)-1-fluoro-3-methoxyprop-1-enyl]sulfinylhexane.

Molecular Properties

Compound Name1-[(E)-1-fluoro-3-methoxyprop-1-enyl]sulfinylhexane
PubChem CID14821691
Molecular FormulaC10H19FO2S
Molecular Weight222.32 g/mol
Exact Mass222.11
IUPAC Name1-[(E)-1-fluoro-3-methoxyprop-1-enyl]sulfinylhexane
SMILESCCCCCCS(=O)/C(F)=C/COC
InChIInChI=1S/C10H19FO2S/c1-3-4-5-6-9-14(12)10(11)7-8-13-2/h7H,3-6,8-9H2,1-2H3/b10-7+
InChIKeyFYWSEFVRZVNSHZ-JXMROGBWSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
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 1-[(E)-1-fluoro-3-methoxyprop-1-enyl]sulfinylhexane?
The IUPAC name of 1-[(E)-1-fluoro-3-methoxyprop-1-enyl]sulfinylhexane (CID 14821691) is 1-[(E)-1-fluoro-3-methoxyprop-1-enyl]sulfinylhexane.
What is the SMILES notation for 1-[(E)-1-fluoro-3-methoxyprop-1-enyl]sulfinylhexane?
The canonical SMILES for 1-[(E)-1-fluoro-3-methoxyprop-1-enyl]sulfinylhexane is CCCCCCS(=O)/C(F)=C/COC.
What is the InChIKey of 1-[(E)-1-fluoro-3-methoxyprop-1-enyl]sulfinylhexane?
The InChIKey is FYWSEFVRZVNSHZ-JXMROGBWSA-N. The full InChI is InChI=1S/C10H19FO2S/c1-3-4-5-6-9-14(12)10(11)7-8-13-2/h7H,3-6,8-9H2,1-2H3/b10-7+.
What are the key properties of 1-[(E)-1-fluoro-3-methoxyprop-1-enyl]sulfinylhexane?
1-[(E)-1-fluoro-3-methoxyprop-1-enyl]sulfinylhexane has a molecular weight of 222.32 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-fluoro-3-methoxyprop-1-enyl]sulfinylhexane is sourced from PubChem (CID 14821691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).