[1-fluoro-1-(5-methylcyclohexen-1-yl)oxyethyl]phosphane

C9H16FOP — CID 129041555

IUPAC[1-fluoro-1-(5-methylcyclohexen-1-yl)oxyethyl]phosphane
SMILESCC1CCC=C(OC(C)(F)P)C1
InChIInChI=1S/C9H16FOP/c1-7-4-3-5-8(6-7)11-9(2,10)12/h5,7H,3-4,6,12H2,1-2H3
InChIKeyBSBJAFIJEGRGGK-UHFFFAOYSA-N
MW190.20 g/mol
LogP3.23
Rot. Bonds2

About [1-fluoro-1-(5-methylcyclohexen-1-yl)oxyethyl]phosphane

[1-fluoro-1-(5-methylcyclohexen-1-yl)oxyethyl]phosphane (PubChem CID 129041555) has the molecular formula C9H16FOP and a molecular weight of 190.20 g/mol. Its IUPAC name is [1-fluoro-1-(5-methylcyclohexen-1-yl)oxyethyl]phosphane.

Molecular Properties

Compound Name[1-fluoro-1-(5-methylcyclohexen-1-yl)oxyethyl]phosphane
PubChem CID129041555
Molecular FormulaC9H16FOP
Molecular Weight190.20 g/mol
Exact Mass190.09
IUPAC Name[1-fluoro-1-(5-methylcyclohexen-1-yl)oxyethyl]phosphane
SMILESCC1CCC=C(OC(C)(F)P)C1
InChIInChI=1S/C9H16FOP/c1-7-4-3-5-8(6-7)11-9(2,10)12/h5,7H,3-4,6,12H2,1-2H3
InChIKeyBSBJAFIJEGRGGK-UHFFFAOYSA-N
XLogP3.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-fluoro-1-(5-methylcyclohexen-1-yl)oxyethyl]phosphane?
The IUPAC name of [1-fluoro-1-(5-methylcyclohexen-1-yl)oxyethyl]phosphane (CID 129041555) is [1-fluoro-1-(5-methylcyclohexen-1-yl)oxyethyl]phosphane.
What is the SMILES notation for [1-fluoro-1-(5-methylcyclohexen-1-yl)oxyethyl]phosphane?
The canonical SMILES for [1-fluoro-1-(5-methylcyclohexen-1-yl)oxyethyl]phosphane is CC1CCC=C(OC(C)(F)P)C1.
What is the InChIKey of [1-fluoro-1-(5-methylcyclohexen-1-yl)oxyethyl]phosphane?
The InChIKey is BSBJAFIJEGRGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FOP/c1-7-4-3-5-8(6-7)11-9(2,10)12/h5,7H,3-4,6,12H2,1-2H3.
What are the key properties of [1-fluoro-1-(5-methylcyclohexen-1-yl)oxyethyl]phosphane?
[1-fluoro-1-(5-methylcyclohexen-1-yl)oxyethyl]phosphane has a molecular weight of 190.20 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-fluoro-1-(5-methylcyclohexen-1-yl)oxyethyl]phosphane is sourced from PubChem (CID 129041555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).