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

C10H18F3OP — CID 66729730

IUPAC[ethyl(2,2,2-trifluoroethyl)phosphoryl]cyclohexane
SMILESCCP(=O)(CC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H18F3OP/c1-2-15(14,8-10(11,12)13)9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyGTRAZHITYJUVIU-UHFFFAOYSA-N
MW242.22 g/mol
LogP4.26
Rot. Bonds3

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

[ethyl(2,2,2-trifluoroethyl)phosphoryl]cyclohexane (PubChem CID 66729730) has the molecular formula C10H18F3OP and a molecular weight of 242.22 g/mol. Its IUPAC name is [ethyl(2,2,2-trifluoroethyl)phosphoryl]cyclohexane.

Molecular Properties

Compound Name[ethyl(2,2,2-trifluoroethyl)phosphoryl]cyclohexane
PubChem CID66729730
Molecular FormulaC10H18F3OP
Molecular Weight242.22 g/mol
Exact Mass242.10
IUPAC Name[ethyl(2,2,2-trifluoroethyl)phosphoryl]cyclohexane
SMILESCCP(=O)(CC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H18F3OP/c1-2-15(14,8-10(11,12)13)9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyGTRAZHITYJUVIU-UHFFFAOYSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 54.26
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 [ethyl(2,2,2-trifluoroethyl)phosphoryl]cyclohexane?
The IUPAC name of [ethyl(2,2,2-trifluoroethyl)phosphoryl]cyclohexane (CID 66729730) is [ethyl(2,2,2-trifluoroethyl)phosphoryl]cyclohexane.
What is the SMILES notation for [ethyl(2,2,2-trifluoroethyl)phosphoryl]cyclohexane?
The canonical SMILES for [ethyl(2,2,2-trifluoroethyl)phosphoryl]cyclohexane is CCP(=O)(CC(F)(F)F)C1CCCCC1.
What is the InChIKey of [ethyl(2,2,2-trifluoroethyl)phosphoryl]cyclohexane?
The InChIKey is GTRAZHITYJUVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3OP/c1-2-15(14,8-10(11,12)13)9-6-4-3-5-7-9/h9H,2-8H2,1H3.
What are the key properties of [ethyl(2,2,2-trifluoroethyl)phosphoryl]cyclohexane?
[ethyl(2,2,2-trifluoroethyl)phosphoryl]cyclohexane has a molecular weight of 242.22 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(2,2,2-trifluoroethyl)phosphoryl]cyclohexane is sourced from PubChem (CID 66729730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).