1-[(Z)-1-fluoro-3-methoxyprop-1-enyl]sulfanylhexane

C10H19FOS — CID 88619249

IUPAC1-[(Z)-1-fluoro-3-methoxyprop-1-enyl]sulfanylhexane
SMILESCCCCCCS/C(F)=C\COC
InChIInChI=1S/C10H19FOS/c1-3-4-5-6-9-13-10(11)7-8-12-2/h7H,3-6,8-9H2,1-2H3/b10-7-
InChIKeyBTCXUVMHKQSGOY-YFHOEESVSA-N
MW206.33 g/mol
LogP3.76
Rot. Bonds8

About 1-[(Z)-1-fluoro-3-methoxyprop-1-enyl]sulfanylhexane

1-[(Z)-1-fluoro-3-methoxyprop-1-enyl]sulfanylhexane (PubChem CID 88619249) has the molecular formula C10H19FOS and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-[(Z)-1-fluoro-3-methoxyprop-1-enyl]sulfanylhexane.

Molecular Properties

Compound Name1-[(Z)-1-fluoro-3-methoxyprop-1-enyl]sulfanylhexane
PubChem CID88619249
Molecular FormulaC10H19FOS
Molecular Weight206.33 g/mol
Exact Mass206.11
IUPAC Name1-[(Z)-1-fluoro-3-methoxyprop-1-enyl]sulfanylhexane
SMILESCCCCCCS/C(F)=C\COC
InChIInChI=1S/C10H19FOS/c1-3-4-5-6-9-13-10(11)7-8-12-2/h7H,3-6,8-9H2,1-2H3/b10-7-
InChIKeyBTCXUVMHKQSGOY-YFHOEESVSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.76
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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Related Compounds

1-[(E)-1-fluoro-3-methoxyprop-1-enyl]sulfinylhexane
CID 14821691
1-(1-Fluoro-3-methoxyprop-1-enyl)sulfanylhexane
CID 53699839
1-(1-Fluoro-3-methoxyprop-1-enyl)sulfinylhexane
CID 53825605
6-[(E)-3-methoxyprop-1-enyl]sulfanylhexane-1-thiol
CID 176422603
6-[(Z)-3-methoxyprop-1-enyl]sulfanylhexane-1-thiol
CID 176422604
1-[(E)-3-methoxyprop-1-enyl]sulfanylhexane
CID 19843653
3-Methoxy-1-hexylthio-1-propene
CID 54335577

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-fluoro-3-methoxyprop-1-enyl]sulfanylhexane?
The IUPAC name of 1-[(Z)-1-fluoro-3-methoxyprop-1-enyl]sulfanylhexane (CID 88619249) is 1-[(Z)-1-fluoro-3-methoxyprop-1-enyl]sulfanylhexane.
What is the SMILES notation for 1-[(Z)-1-fluoro-3-methoxyprop-1-enyl]sulfanylhexane?
The canonical SMILES for 1-[(Z)-1-fluoro-3-methoxyprop-1-enyl]sulfanylhexane is CCCCCCS/C(F)=C\COC.
What is the InChIKey of 1-[(Z)-1-fluoro-3-methoxyprop-1-enyl]sulfanylhexane?
The InChIKey is BTCXUVMHKQSGOY-YFHOEESVSA-N. The full InChI is InChI=1S/C10H19FOS/c1-3-4-5-6-9-13-10(11)7-8-12-2/h7H,3-6,8-9H2,1-2H3/b10-7-.
What are the key properties of 1-[(Z)-1-fluoro-3-methoxyprop-1-enyl]sulfanylhexane?
1-[(Z)-1-fluoro-3-methoxyprop-1-enyl]sulfanylhexane has a molecular weight of 206.33 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-fluoro-3-methoxyprop-1-enyl]sulfanylhexane is sourced from PubChem (CID 88619249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).