1,1,1-trifluoro-2-[methoxy(2,2,2-trifluoroethyl)phosphoryl]ethane

C5H7F6O2P — CID 23081767

IUPAC1,1,1-trifluoro-2-[methoxy(2,2,2-trifluoroethyl)phosphoryl]ethane
SMILESCOP(=O)(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C5H7F6O2P/c1-13-14(12,2-4(6,7)8)3-5(9,10)11/h2-3H2,1H3
InChIKeyYSYAZGUQYKPMBN-UHFFFAOYSA-N
MW244.07 g/mol
LogP3.04
Rot. Bonds3

About 1,1,1-trifluoro-2-[methoxy(2,2,2-trifluoroethyl)phosphoryl]ethane

1,1,1-trifluoro-2-[methoxy(2,2,2-trifluoroethyl)phosphoryl]ethane (PubChem CID 23081767) has the molecular formula C5H7F6O2P and a molecular weight of 244.07 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[methoxy(2,2,2-trifluoroethyl)phosphoryl]ethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[methoxy(2,2,2-trifluoroethyl)phosphoryl]ethane
PubChem CID23081767
Molecular FormulaC5H7F6O2P
Molecular Weight244.07 g/mol
Exact Mass244.01
IUPAC Name1,1,1-trifluoro-2-[methoxy(2,2,2-trifluoroethyl)phosphoryl]ethane
SMILESCOP(=O)(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C5H7F6O2P/c1-13-14(12,2-4(6,7)8)3-5(9,10)11/h2-3H2,1H3
InChIKeyYSYAZGUQYKPMBN-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.07
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Bis(2,2,2-trifluoroethyl) methylphosphonate
CID 3625610
Dimethyl (2,2-difluoroethyl)phosphonate
CID 71387577
Bis-trifluoromethyl Ethylphosphonate
CID 4574247
o-Ethyl ethyl(2,2,2-trifluoroethyl)phosphinate
CID 6421638
Dimethyl (2,2,2-trifluoroethyl)phosphonate
CID 13115970
3-Dimethoxyphosphoryl-1,1,1,2,2-pentafluoropropane
CID 172877504
o-Ethyl ethyl(heptafluoropropyl)phosphinate
CID 6421632
1-Dimethoxyphosphoryl-1,1,2,2-tetrafluoroethane
CID 21731022
Xpizpzrrdikdss-uhfffaoysa-
CID 23271363
Dimethyl (1,1,2,3,3,3-hexafluoropropyl)phosphonate
CID 155293685
2-[Ethyl(methyl)phosphoryl]oxy-1,1,1-trifluoroethane
CID 12886243
1-[Bis(trifluoromethyl)phosphoryloxy]ethane
CID 21732938

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[methoxy(2,2,2-trifluoroethyl)phosphoryl]ethane?
The IUPAC name of 1,1,1-trifluoro-2-[methoxy(2,2,2-trifluoroethyl)phosphoryl]ethane (CID 23081767) is 1,1,1-trifluoro-2-[methoxy(2,2,2-trifluoroethyl)phosphoryl]ethane.
What is the SMILES notation for 1,1,1-trifluoro-2-[methoxy(2,2,2-trifluoroethyl)phosphoryl]ethane?
The canonical SMILES for 1,1,1-trifluoro-2-[methoxy(2,2,2-trifluoroethyl)phosphoryl]ethane is COP(=O)(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[methoxy(2,2,2-trifluoroethyl)phosphoryl]ethane?
The InChIKey is YSYAZGUQYKPMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F6O2P/c1-13-14(12,2-4(6,7)8)3-5(9,10)11/h2-3H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-[methoxy(2,2,2-trifluoroethyl)phosphoryl]ethane?
1,1,1-trifluoro-2-[methoxy(2,2,2-trifluoroethyl)phosphoryl]ethane has a molecular weight of 244.07 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[methoxy(2,2,2-trifluoroethyl)phosphoryl]ethane is sourced from PubChem (CID 23081767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).