1-[fluoro(trifluoromethyl)phosphoryl]oxyethane

C3H5F4O2P — CID 172746809

IUPAC1-[fluoro(trifluoromethyl)phosphoryl]oxyethane
SMILESCCOP(=O)(F)C(F)(F)F
InChIInChI=1S/C3H5F4O2P/c1-2-9-10(7,8)3(4,5)6/h2H2,1H3
InChIKeyJVIFMSFVAJKEKP-UHFFFAOYSA-N
MW180.04 g/mol
LogP2.71
Rot. Bonds2

About 1-[fluoro(trifluoromethyl)phosphoryl]oxyethane

1-[fluoro(trifluoromethyl)phosphoryl]oxyethane (PubChem CID 172746809) has the molecular formula C3H5F4O2P and a molecular weight of 180.04 g/mol. Its IUPAC name is 1-[fluoro(trifluoromethyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[fluoro(trifluoromethyl)phosphoryl]oxyethane
PubChem CID172746809
Molecular FormulaC3H5F4O2P
Molecular Weight180.04 g/mol
Exact Mass180.00
IUPAC Name1-[fluoro(trifluoromethyl)phosphoryl]oxyethane
SMILESCCOP(=O)(F)C(F)(F)F
InChIInChI=1S/C3H5F4O2P/c1-2-9-10(7,8)3(4,5)6/h2H2,1H3
InChIKeyJVIFMSFVAJKEKP-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.04
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[fluoro(trifluoromethyl)phosphoryl]oxyethane 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-[ethylsulfanyl(trifluoromethyl)phosphoryl]oxyethane
CID 13207021
2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane
CID 12757470
1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid
CID 87482421
2-[ethoxy(ethyl)phosphoryl]-1,1,1-trifluoroethane
CID 6421638
1-bromo-2-diethoxyphosphoryl-1,1,2,2-tetrafluoroethane
CID 11130909
ethyl methyl 2,2,2-trifluoroethyl phosphate
CID 87424600
2-[ethoxy(methyl)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane
CID 11862329
2-bromo-2-diethoxyphosphoryl-2-fluoroacetonitrile
CID 134872139
1-diethoxyphosphoryl-1,1-difluorohexane
CID 10445215
(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305
CID 131882906
CID 131882906

Frequently Asked Questions

What is the IUPAC name of 1-[fluoro(trifluoromethyl)phosphoryl]oxyethane?
The IUPAC name of 1-[fluoro(trifluoromethyl)phosphoryl]oxyethane (CID 172746809) is 1-[fluoro(trifluoromethyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-[fluoro(trifluoromethyl)phosphoryl]oxyethane?
The canonical SMILES for 1-[fluoro(trifluoromethyl)phosphoryl]oxyethane is CCOP(=O)(F)C(F)(F)F.
What is the InChIKey of 1-[fluoro(trifluoromethyl)phosphoryl]oxyethane?
The InChIKey is JVIFMSFVAJKEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F4O2P/c1-2-9-10(7,8)3(4,5)6/h2H2,1H3.
What are the key properties of 1-[fluoro(trifluoromethyl)phosphoryl]oxyethane?
1-[fluoro(trifluoromethyl)phosphoryl]oxyethane has a molecular weight of 180.04 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(trifluoromethyl)phosphoryl]oxyethane is sourced from PubChem (CID 172746809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).