2-dimethoxyphosphoryl-1,1,1-trifluoroethane

C4H8F3O3P — CID 13115970

IUPAC2-dimethoxyphosphoryl-1,1,1-trifluoroethane
SMILESCOP(=O)(CC(F)(F)F)OC
InChIInChI=1S/C4H8F3O3P/c1-9-11(8,10-2)3-4(5,6)7/h3H2,1-2H3
InChIKeyWPOMGAFLWWIVIF-UHFFFAOYSA-N
MW192.07 g/mol
LogP2.03
Rot. Bonds3

About 2-dimethoxyphosphoryl-1,1,1-trifluoroethane

2-dimethoxyphosphoryl-1,1,1-trifluoroethane (PubChem CID 13115970) has the molecular formula C4H8F3O3P and a molecular weight of 192.07 g/mol. Its IUPAC name is 2-dimethoxyphosphoryl-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-dimethoxyphosphoryl-1,1,1-trifluoroethane
PubChem CID13115970
Molecular FormulaC4H8F3O3P
Molecular Weight192.07 g/mol
Exact Mass192.02
IUPAC Name2-dimethoxyphosphoryl-1,1,1-trifluoroethane
SMILESCOP(=O)(CC(F)(F)F)OC
InChIInChI=1S/C4H8F3O3P/c1-9-11(8,10-2)3-4(5,6)7/h3H2,1-2H3
InChIKeyWPOMGAFLWWIVIF-UHFFFAOYSA-N
XLogP2.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.07
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phosphonic acid, (difluoromethyl)-, diethyl ester
CID 2758305
Trifluoromethylphosphonic acid diethyl ester
CID 12503717
Diethyl (2,2-difluoroethyl)phosphonate
CID 21731055
Dimethyl (2,2-difluoroethyl)phosphonate
CID 71387577
Diethyl trifluorovinylphosphonate
CID 14115299
Bis-trifluoromethyl Ethylphosphonate
CID 4574247
Agn-PC-0nco3N
CID 10910399
1-Diethoxyphosphoryl-1,1-difluoroethane
CID 13736768
2-Diethoxyphosphoryl-1,1,1-trifluoro-2-methoxyethane
CID 135037093
o-Ethyl ethyl(2,2,2-trifluoroethyl)phosphinate
CID 6421638
1-Diethoxyphosphoryl-1,1-difluoropropane
CID 10013537
1-[Propoxy(trifluoromethyl)phosphoryl]oxypropane
CID 102450606

Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphoryl-1,1,1-trifluoroethane?
The IUPAC name of 2-dimethoxyphosphoryl-1,1,1-trifluoroethane (CID 13115970) is 2-dimethoxyphosphoryl-1,1,1-trifluoroethane.
What is the SMILES notation for 2-dimethoxyphosphoryl-1,1,1-trifluoroethane?
The canonical SMILES for 2-dimethoxyphosphoryl-1,1,1-trifluoroethane is COP(=O)(CC(F)(F)F)OC.
What is the InChIKey of 2-dimethoxyphosphoryl-1,1,1-trifluoroethane?
The InChIKey is WPOMGAFLWWIVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3O3P/c1-9-11(8,10-2)3-4(5,6)7/h3H2,1-2H3.
What are the key properties of 2-dimethoxyphosphoryl-1,1,1-trifluoroethane?
2-dimethoxyphosphoryl-1,1,1-trifluoroethane has a molecular weight of 192.07 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryl-1,1,1-trifluoroethane is sourced from PubChem (CID 13115970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).