3,3-difluoropropoxycarbonyl-ethoxy-oxophosphanium

C6H10F2O4P+ — CID 130463737

IUPAC3,3-difluoropropoxycarbonyl-ethoxy-oxophosphanium
SMILESCCO[P+](=O)C(=O)OCCC(F)F
InChIInChI=1S/C6H10F2O4P/c1-2-12-13(10)6(9)11-4-3-5(7)8/h5H,2-4H2,1H3/q+1
InChIKeyFDAKZNCDPFKOSY-UHFFFAOYSA-N
MW215.11 g/mol
LogP2.56
Rot. Bonds6

About 3,3-difluoropropoxycarbonyl-ethoxy-oxophosphanium

3,3-difluoropropoxycarbonyl-ethoxy-oxophosphanium (PubChem CID 130463737) has the molecular formula C6H10F2O4P+ and a molecular weight of 215.11 g/mol. Its IUPAC name is 3,3-difluoropropoxycarbonyl-ethoxy-oxophosphanium.

Molecular Properties

Compound Name3,3-difluoropropoxycarbonyl-ethoxy-oxophosphanium
PubChem CID130463737
Molecular FormulaC6H10F2O4P+
Molecular Weight215.11 g/mol
Exact Mass215.03
IUPAC Name3,3-difluoropropoxycarbonyl-ethoxy-oxophosphanium
SMILESCCO[P+](=O)C(=O)OCCC(F)F
InChIInChI=1S/C6H10F2O4P/c1-2-12-13(10)6(9)11-4-3-5(7)8/h5H,2-4H2,1H3/q+1
InChIKeyFDAKZNCDPFKOSY-UHFFFAOYSA-N
XLogP2.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.11
LogP ≤ 52.56
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

acetyl-ethoxy-oxophosphanium
CID 87455010
2,2-difluoroethoxy-methoxycarbonyl-oxophosphanium
CID 130463713
ethoxy-(2-fluoro-3-oxobutyl)-oxophosphanium
CID 130464055
sodium;ethoxy-methyl-oxophosphanium;hydride
CID 175193862
ethyl 2,3,5-trifluoropentanoate
CID 174529809
1-carboxyprop-1-enyl-ethoxy-oxophosphanium
CID 174433307
[(3R)-3-fluorobutyl] propanoate
CID 163735225
diethyl 2,3-difluorobutanedioate
CID 12868425
ethyl 2,4,4-trifluorobutanoate
CID 142778166
propyl 2-bromo-2-fluoroacetate
CID 134352619
2-(3,3-difluoropropoxy)ethanamine
CID 84648386
2-(6,6-difluorohexylsulfanyl)ethyl acetate
CID 174722080

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropropoxycarbonyl-ethoxy-oxophosphanium?
The IUPAC name of 3,3-difluoropropoxycarbonyl-ethoxy-oxophosphanium (CID 130463737) is 3,3-difluoropropoxycarbonyl-ethoxy-oxophosphanium.
What is the SMILES notation for 3,3-difluoropropoxycarbonyl-ethoxy-oxophosphanium?
The canonical SMILES for 3,3-difluoropropoxycarbonyl-ethoxy-oxophosphanium is CCO[P+](=O)C(=O)OCCC(F)F.
What is the InChIKey of 3,3-difluoropropoxycarbonyl-ethoxy-oxophosphanium?
The InChIKey is FDAKZNCDPFKOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O4P/c1-2-12-13(10)6(9)11-4-3-5(7)8/h5H,2-4H2,1H3/q+1.
What are the key properties of 3,3-difluoropropoxycarbonyl-ethoxy-oxophosphanium?
3,3-difluoropropoxycarbonyl-ethoxy-oxophosphanium has a molecular weight of 215.11 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropropoxycarbonyl-ethoxy-oxophosphanium is sourced from PubChem (CID 130463737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).