[methyl(1,1,2,2,2-pentafluoroethoxy)phosphoryl]oxycyclohexane

C9H14F5O3P — CID 87127848

IUPAC[methyl(1,1,2,2,2-pentafluoroethoxy)phosphoryl]oxycyclohexane
SMILESCP(=O)(OC1CCCCC1)OC(F)(F)C(F)(F)F
InChIInChI=1S/C9H14F5O3P/c1-18(15,16-7-5-3-2-4-6-7)17-9(13,14)8(10,11)12/h7H,2-6H2,1H3
InChIKeyYAAJJNRYQOPYTL-UHFFFAOYSA-N
MW296.17 g/mol
LogP4.33
Rot. Bonds4

About [methyl(1,1,2,2,2-pentafluoroethoxy)phosphoryl]oxycyclohexane

[methyl(1,1,2,2,2-pentafluoroethoxy)phosphoryl]oxycyclohexane (PubChem CID 87127848) has the molecular formula C9H14F5O3P and a molecular weight of 296.17 g/mol. Its IUPAC name is [methyl(1,1,2,2,2-pentafluoroethoxy)phosphoryl]oxycyclohexane.

Molecular Properties

Compound Name[methyl(1,1,2,2,2-pentafluoroethoxy)phosphoryl]oxycyclohexane
PubChem CID87127848
Molecular FormulaC9H14F5O3P
Molecular Weight296.17 g/mol
Exact Mass296.06
IUPAC Name[methyl(1,1,2,2,2-pentafluoroethoxy)phosphoryl]oxycyclohexane
SMILESCP(=O)(OC1CCCCC1)OC(F)(F)C(F)(F)F
InChIInChI=1S/C9H14F5O3P/c1-18(15,16-7-5-3-2-4-6-7)17-9(13,14)8(10,11)12/h7H,2-6H2,1H3
InChIKeyYAAJJNRYQOPYTL-UHFFFAOYSA-N
XLogP4.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [methyl(1,1,2,2,2-pentafluoroethoxy)phosphoryl]oxycyclohexane?
The IUPAC name of [methyl(1,1,2,2,2-pentafluoroethoxy)phosphoryl]oxycyclohexane (CID 87127848) is [methyl(1,1,2,2,2-pentafluoroethoxy)phosphoryl]oxycyclohexane.
What is the SMILES notation for [methyl(1,1,2,2,2-pentafluoroethoxy)phosphoryl]oxycyclohexane?
The canonical SMILES for [methyl(1,1,2,2,2-pentafluoroethoxy)phosphoryl]oxycyclohexane is CP(=O)(OC1CCCCC1)OC(F)(F)C(F)(F)F.
What is the InChIKey of [methyl(1,1,2,2,2-pentafluoroethoxy)phosphoryl]oxycyclohexane?
The InChIKey is YAAJJNRYQOPYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F5O3P/c1-18(15,16-7-5-3-2-4-6-7)17-9(13,14)8(10,11)12/h7H,2-6H2,1H3.
What are the key properties of [methyl(1,1,2,2,2-pentafluoroethoxy)phosphoryl]oxycyclohexane?
[methyl(1,1,2,2,2-pentafluoroethoxy)phosphoryl]oxycyclohexane has a molecular weight of 296.17 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(1,1,2,2,2-pentafluoroethoxy)phosphoryl]oxycyclohexane is sourced from PubChem (CID 87127848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).