[cyclohexyl(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane

C14H24F3O2P — CID 66729721

IUPAC[cyclohexyl(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane
SMILESO=P(CC(F)(F)F)(OC1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H24F3O2P/c15-14(16,17)11-20(18,13-9-5-2-6-10-13)19-12-7-3-1-4-8-12/h12-13H,1-11H2
InChIKeyCXETWESVQKKUTI-UHFFFAOYSA-N
MW312.31 g/mol
LogP5.51
Rot. Bonds4

About [cyclohexyl(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane

[cyclohexyl(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane (PubChem CID 66729721) has the molecular formula C14H24F3O2P and a molecular weight of 312.31 g/mol. Its IUPAC name is [cyclohexyl(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane.

Molecular Properties

Compound Name[cyclohexyl(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane
PubChem CID66729721
Molecular FormulaC14H24F3O2P
Molecular Weight312.31 g/mol
Exact Mass312.15
IUPAC Name[cyclohexyl(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane
SMILESO=P(CC(F)(F)F)(OC1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H24F3O2P/c15-14(16,17)11-20(18,13-9-5-2-6-10-13)19-12-7-3-1-4-8-12/h12-13H,1-11H2
InChIKeyCXETWESVQKKUTI-UHFFFAOYSA-N
XLogP5.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.31
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [cyclohexyl(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane?
The IUPAC name of [cyclohexyl(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane (CID 66729721) is [cyclohexyl(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane.
What is the SMILES notation for [cyclohexyl(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane?
The canonical SMILES for [cyclohexyl(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane is O=P(CC(F)(F)F)(OC1CCCCC1)C1CCCCC1.
What is the InChIKey of [cyclohexyl(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane?
The InChIKey is CXETWESVQKKUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3O2P/c15-14(16,17)11-20(18,13-9-5-2-6-10-13)19-12-7-3-1-4-8-12/h12-13H,1-11H2.
What are the key properties of [cyclohexyl(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane?
[cyclohexyl(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane has a molecular weight of 312.31 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane is sourced from PubChem (CID 66729721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).