1-fluoro-2-[(2-fluorocyclohexyl)oxy-prop-2-enylphosphoryl]oxycyclohexane

C15H25F2O3P — CID 87625128

IUPAC1-fluoro-2-[(2-fluorocyclohexyl)oxy-prop-2-enylphosphoryl]oxycyclohexane
SMILESC=CCP(=O)(OC1CCCCC1F)OC1CCCCC1F
InChIInChI=1S/C15H25F2O3P/c1-2-11-21(18,19-14-9-5-3-7-12(14)16)20-15-10-6-4-8-13(15)17/h2,12-15H,1,3-11H2
InChIKeyGISOBSQAULLZFE-UHFFFAOYSA-N
MW322.33 g/mol
LogP4.96
Rot. Bonds6

About 1-fluoro-2-[(2-fluorocyclohexyl)oxy-prop-2-enylphosphoryl]oxycyclohexane

1-fluoro-2-[(2-fluorocyclohexyl)oxy-prop-2-enylphosphoryl]oxycyclohexane (PubChem CID 87625128) has the molecular formula C15H25F2O3P and a molecular weight of 322.33 g/mol. Its IUPAC name is 1-fluoro-2-[(2-fluorocyclohexyl)oxy-prop-2-enylphosphoryl]oxycyclohexane.

Molecular Properties

Compound Name1-fluoro-2-[(2-fluorocyclohexyl)oxy-prop-2-enylphosphoryl]oxycyclohexane
PubChem CID87625128
Molecular FormulaC15H25F2O3P
Molecular Weight322.33 g/mol
Exact Mass322.15
IUPAC Name1-fluoro-2-[(2-fluorocyclohexyl)oxy-prop-2-enylphosphoryl]oxycyclohexane
SMILESC=CCP(=O)(OC1CCCCC1F)OC1CCCCC1F
InChIInChI=1S/C15H25F2O3P/c1-2-11-21(18,19-14-9-5-3-7-12(14)16)20-15-10-6-4-8-13(15)17/h2,12-15H,1,3-11H2
InChIKeyGISOBSQAULLZFE-UHFFFAOYSA-N
XLogP4.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[(2-fluorocyclohexyl)oxy-prop-2-enylphosphoryl]oxycyclohexane?
The IUPAC name of 1-fluoro-2-[(2-fluorocyclohexyl)oxy-prop-2-enylphosphoryl]oxycyclohexane (CID 87625128) is 1-fluoro-2-[(2-fluorocyclohexyl)oxy-prop-2-enylphosphoryl]oxycyclohexane.
What is the SMILES notation for 1-fluoro-2-[(2-fluorocyclohexyl)oxy-prop-2-enylphosphoryl]oxycyclohexane?
The canonical SMILES for 1-fluoro-2-[(2-fluorocyclohexyl)oxy-prop-2-enylphosphoryl]oxycyclohexane is C=CCP(=O)(OC1CCCCC1F)OC1CCCCC1F.
What is the InChIKey of 1-fluoro-2-[(2-fluorocyclohexyl)oxy-prop-2-enylphosphoryl]oxycyclohexane?
The InChIKey is GISOBSQAULLZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2O3P/c1-2-11-21(18,19-14-9-5-3-7-12(14)16)20-15-10-6-4-8-13(15)17/h2,12-15H,1,3-11H2.
What are the key properties of 1-fluoro-2-[(2-fluorocyclohexyl)oxy-prop-2-enylphosphoryl]oxycyclohexane?
1-fluoro-2-[(2-fluorocyclohexyl)oxy-prop-2-enylphosphoryl]oxycyclohexane has a molecular weight of 322.33 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[(2-fluorocyclohexyl)oxy-prop-2-enylphosphoryl]oxycyclohexane is sourced from PubChem (CID 87625128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).