difluoro 1-fluoroethyl phosphate

C2H4F3O4P — CID 87222055

IUPACdifluoro 1-fluoroethyl phosphate
SMILESCC(F)OP(=O)(OF)OF
InChIInChI=1S/C2H4F3O4P/c1-2(3)7-10(6,8-4)9-5/h2H,1H3
InChIKeyNIGQGJNAMDFWOH-UHFFFAOYSA-N
MW180.02 g/mol
LogP2.23
Rot. Bonds4

About difluoro 1-fluoroethyl phosphate

difluoro 1-fluoroethyl phosphate (PubChem CID 87222055) has the molecular formula C2H4F3O4P and a molecular weight of 180.02 g/mol. Its IUPAC name is difluoro 1-fluoroethyl phosphate.

Molecular Properties

Compound Namedifluoro 1-fluoroethyl phosphate
PubChem CID87222055
Molecular FormulaC2H4F3O4P
Molecular Weight180.02 g/mol
Exact Mass179.98
IUPAC Namedifluoro 1-fluoroethyl phosphate
SMILESCC(F)OP(=O)(OF)OF
InChIInChI=1S/C2H4F3O4P/c1-2(3)7-10(6,8-4)9-5/h2H,1H3
InChIKeyNIGQGJNAMDFWOH-UHFFFAOYSA-N
XLogP2.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.02
LogP ≤ 52.23
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

Phosphorodifluoridic acid, ethyl ester
CID 120250
Ethyl phosphate(2-)
CID 12691392
2,2,2-Trifluoroethyl phosphate
CID 151044
Ethyl fluoro methyl phosphate
CID 87128497
2,2-Difluoroethyl dihydrogen phosphate
CID 88950660
ethyl P-difluoromethylphosphinate
CID 10396948
(2-Fluoroethoxy)(methyl)oxophosphanium
CID 13254736
Phosphoric acid 2,2,2-trifluoroethyldiethyl ester
CID 13368233
Phosphoric acid dimethyl=2,2,2-trifluoroethyl ester
CID 15466707
Phosphoric acid methylbis(2,2,2-trifluoroethyl) ester
CID 15531203
Methoxy-oxo-(2,2,2-trifluoroethoxy)phosphanium
CID 15685150
Methyl 2,2,2-trifluoroethyl hydrogen phosphate
CID 15685162

Frequently Asked Questions

What is the IUPAC name of difluoro 1-fluoroethyl phosphate?
The IUPAC name of difluoro 1-fluoroethyl phosphate (CID 87222055) is difluoro 1-fluoroethyl phosphate.
What is the SMILES notation for difluoro 1-fluoroethyl phosphate?
The canonical SMILES for difluoro 1-fluoroethyl phosphate is CC(F)OP(=O)(OF)OF.
What is the InChIKey of difluoro 1-fluoroethyl phosphate?
The InChIKey is NIGQGJNAMDFWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F3O4P/c1-2(3)7-10(6,8-4)9-5/h2H,1H3.
What are the key properties of difluoro 1-fluoroethyl phosphate?
difluoro 1-fluoroethyl phosphate has a molecular weight of 180.02 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro 1-fluoroethyl phosphate is sourced from PubChem (CID 87222055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).