1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]butane

C8H16F3O2P — CID 87128078

IUPAC1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]butane
SMILESCCCCP(=O)(CC)OCC(F)(F)F
InChIInChI=1S/C8H16F3O2P/c1-3-5-6-14(12,4-2)13-7-8(9,10)11/h3-7H2,1-2H3
InChIKeyJWINPVDNUNPRAP-UHFFFAOYSA-N
MW232.18 g/mol
LogP3.66
Rot. Bonds6

About 1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]butane

1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]butane (PubChem CID 87128078) has the molecular formula C8H16F3O2P and a molecular weight of 232.18 g/mol. Its IUPAC name is 1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]butane.

Molecular Properties

Compound Name1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]butane
PubChem CID87128078
Molecular FormulaC8H16F3O2P
Molecular Weight232.18 g/mol
Exact Mass232.08
IUPAC Name1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]butane
SMILESCCCCP(=O)(CC)OCC(F)(F)F
InChIInChI=1S/C8H16F3O2P/c1-3-5-6-14(12,4-2)13-7-8(9,10)11/h3-7H2,1-2H3
InChIKeyJWINPVDNUNPRAP-UHFFFAOYSA-N
XLogP3.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]butane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[butyl(2,2,2-trifluoroethyl)phosphoryl]oxybutane
CID 87128383
1-[methoxy(2,2,2-trifluoroethyl)phosphoryl]butane
CID 87155686
dibutyl 2,2,2-trifluoroethyl phosphate
CID 6424864
[butyl(2,2,2-trifluoroethoxy)phosphoryl]benzene
CID 66796378
1-[ethyl(octyl)phosphoryl]oxyoctane
CID 174639586
hydroxy-pentyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane
CID 88693701
2-[ethoxy(ethyl)phosphoryl]-1,1,1-trifluoroethane
CID 6421638
2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane
CID 58320064
1-[2-bromoethyl(ethyl)phosphoryl]oxybutane
CID 71444655
1-[2-[butoxy(ethyl)phosphoryl]ethoxy]butane
CID 87380274
butyl prop-2-enyl 2,2,2-trifluoroethyl phosphate
CID 166490002
ethyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]butanoate
CID 10926473

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]butane?
The IUPAC name of 1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]butane (CID 87128078) is 1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]butane.
What is the SMILES notation for 1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]butane?
The canonical SMILES for 1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]butane is CCCCP(=O)(CC)OCC(F)(F)F.
What is the InChIKey of 1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]butane?
The InChIKey is JWINPVDNUNPRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3O2P/c1-3-5-6-14(12,4-2)13-7-8(9,10)11/h3-7H2,1-2H3.
What are the key properties of 1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]butane?
1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]butane has a molecular weight of 232.18 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]butane is sourced from PubChem (CID 87128078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).