[ethoxy(2,2,2-trifluoroethyl)phosphoryl]cyclohexane

C10H18F3O2P — CID 66796520

IUPAC[ethoxy(2,2,2-trifluoroethyl)phosphoryl]cyclohexane
SMILESCCOP(=O)(CC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H18F3O2P/c1-2-15-16(14,8-10(11,12)13)9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyXAERDZQGMFFULT-UHFFFAOYSA-N
MW258.22 g/mol
LogP4.20
Rot. Bonds4

About [ethoxy(2,2,2-trifluoroethyl)phosphoryl]cyclohexane

[ethoxy(2,2,2-trifluoroethyl)phosphoryl]cyclohexane (PubChem CID 66796520) has the molecular formula C10H18F3O2P and a molecular weight of 258.22 g/mol. Its IUPAC name is [ethoxy(2,2,2-trifluoroethyl)phosphoryl]cyclohexane.

Molecular Properties

Compound Name[ethoxy(2,2,2-trifluoroethyl)phosphoryl]cyclohexane
PubChem CID66796520
Molecular FormulaC10H18F3O2P
Molecular Weight258.22 g/mol
Exact Mass258.10
IUPAC Name[ethoxy(2,2,2-trifluoroethyl)phosphoryl]cyclohexane
SMILESCCOP(=O)(CC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H18F3O2P/c1-2-15-16(14,8-10(11,12)13)9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyXAERDZQGMFFULT-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 54.20
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 [ethoxy(2,2,2-trifluoroethyl)phosphoryl]cyclohexane?
The IUPAC name of [ethoxy(2,2,2-trifluoroethyl)phosphoryl]cyclohexane (CID 66796520) is [ethoxy(2,2,2-trifluoroethyl)phosphoryl]cyclohexane.
What is the SMILES notation for [ethoxy(2,2,2-trifluoroethyl)phosphoryl]cyclohexane?
The canonical SMILES for [ethoxy(2,2,2-trifluoroethyl)phosphoryl]cyclohexane is CCOP(=O)(CC(F)(F)F)C1CCCCC1.
What is the InChIKey of [ethoxy(2,2,2-trifluoroethyl)phosphoryl]cyclohexane?
The InChIKey is XAERDZQGMFFULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3O2P/c1-2-15-16(14,8-10(11,12)13)9-6-4-3-5-7-9/h9H,2-8H2,1H3.
What are the key properties of [ethoxy(2,2,2-trifluoroethyl)phosphoryl]cyclohexane?
[ethoxy(2,2,2-trifluoroethyl)phosphoryl]cyclohexane has a molecular weight of 258.22 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(2,2,2-trifluoroethyl)phosphoryl]cyclohexane is sourced from PubChem (CID 66796520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).