2-diethoxyphosphoryl-1,1,1-trifluoro-2-methoxyethane

C7H14F3O4P — CID 135037093

IUPAC2-diethoxyphosphoryl-1,1,1-trifluoro-2-methoxyethane
SMILESCCOP(=O)(OCC)C(OC)C(F)(F)F
InChIInChI=1S/C7H14F3O4P/c1-4-13-15(11,14-5-2)6(12-3)7(8,9)10/h6H,4-5H2,1-3H3
InChIKeyDGEWIYQDHIGZCV-UHFFFAOYSA-N
MW250.15 g/mol
LogP2.79
Rot. Bonds6

About 2-diethoxyphosphoryl-1,1,1-trifluoro-2-methoxyethane

2-diethoxyphosphoryl-1,1,1-trifluoro-2-methoxyethane (PubChem CID 135037093) has the molecular formula C7H14F3O4P and a molecular weight of 250.15 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-1,1,1-trifluoro-2-methoxyethane.

Molecular Properties

Compound Name2-diethoxyphosphoryl-1,1,1-trifluoro-2-methoxyethane
PubChem CID135037093
Molecular FormulaC7H14F3O4P
Molecular Weight250.15 g/mol
Exact Mass250.06
IUPAC Name2-diethoxyphosphoryl-1,1,1-trifluoro-2-methoxyethane
SMILESCCOP(=O)(OCC)C(OC)C(F)(F)F
InChIInChI=1S/C7H14F3O4P/c1-4-13-15(11,14-5-2)6(12-3)7(8,9)10/h6H,4-5H2,1-3H3
InChIKeyDGEWIYQDHIGZCV-UHFFFAOYSA-N
XLogP2.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.15
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Phosphonic acid, (difluoromethyl)-, diethyl ester
CID 2758305
Diethyl (2,2,2-trifluoro-1-hydroxyethyl)phosphonate
CID 4568496
Trifluoromethylphosphonic acid diethyl ester
CID 12503717
Diethyl (2,2-difluoroethyl)phosphonate
CID 21731055
Dimethyl (2,2-difluoroethyl)phosphonate
CID 71387577
Phosphonic acid, (1-fluoroethyl)-, diethyl ester
CID 10511689
Diethyl trifluorovinylphosphonate
CID 14115299
Bis-trifluoromethyl Ethylphosphonate
CID 4574247
Agn-PC-0nco3N
CID 10910399
1-Diethoxyphosphoryl-1,1-difluoroethane
CID 13736768
Dimethyl 2-(2,2,3,3-tetrafluoropropoxy)ethylphosphonate
CID 88949678
o-Ethyl ethyl(2,2,2-trifluoroethyl)phosphinate
CID 6421638

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-1,1,1-trifluoro-2-methoxyethane?
The IUPAC name of 2-diethoxyphosphoryl-1,1,1-trifluoro-2-methoxyethane (CID 135037093) is 2-diethoxyphosphoryl-1,1,1-trifluoro-2-methoxyethane.
What is the SMILES notation for 2-diethoxyphosphoryl-1,1,1-trifluoro-2-methoxyethane?
The canonical SMILES for 2-diethoxyphosphoryl-1,1,1-trifluoro-2-methoxyethane is CCOP(=O)(OCC)C(OC)C(F)(F)F.
What is the InChIKey of 2-diethoxyphosphoryl-1,1,1-trifluoro-2-methoxyethane?
The InChIKey is DGEWIYQDHIGZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3O4P/c1-4-13-15(11,14-5-2)6(12-3)7(8,9)10/h6H,4-5H2,1-3H3.
What are the key properties of 2-diethoxyphosphoryl-1,1,1-trifluoro-2-methoxyethane?
2-diethoxyphosphoryl-1,1,1-trifluoro-2-methoxyethane has a molecular weight of 250.15 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-1,1,1-trifluoro-2-methoxyethane is sourced from PubChem (CID 135037093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).