2-[chloro(2,2-difluoroethoxy)phosphoryl]oxy-1,1-difluoroethane

C4H6ClF4O3P — CID 15502709

IUPAC2-[chloro(2,2-difluoroethoxy)phosphoryl]oxy-1,1-difluoroethane
SMILESO=P(Cl)(OCC(F)F)OCC(F)F
InChIInChI=1S/C4H6ClF4O3P/c5-13(10,11-1-3(6)7)12-2-4(8)9/h3-4H,1-2H2
InChIKeyQGEFCORWNUSURG-UHFFFAOYSA-N
MW244.51 g/mol
LogP2.90
Rot. Bonds6

About 2-[chloro(2,2-difluoroethoxy)phosphoryl]oxy-1,1-difluoroethane

2-[chloro(2,2-difluoroethoxy)phosphoryl]oxy-1,1-difluoroethane (PubChem CID 15502709) has the molecular formula C4H6ClF4O3P and a molecular weight of 244.51 g/mol. Its IUPAC name is 2-[chloro(2,2-difluoroethoxy)phosphoryl]oxy-1,1-difluoroethane.

Molecular Properties

Compound Name2-[chloro(2,2-difluoroethoxy)phosphoryl]oxy-1,1-difluoroethane
PubChem CID15502709
Molecular FormulaC4H6ClF4O3P
Molecular Weight244.51 g/mol
Exact Mass243.97
IUPAC Name2-[chloro(2,2-difluoroethoxy)phosphoryl]oxy-1,1-difluoroethane
SMILESO=P(Cl)(OCC(F)F)OCC(F)F
InChIInChI=1S/C4H6ClF4O3P/c5-13(10,11-1-3(6)7)12-2-4(8)9/h3-4H,1-2H2
InChIKeyQGEFCORWNUSURG-UHFFFAOYSA-N
XLogP2.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.51
LogP ≤ 52.90
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

2-[(difluorophosphorylamino)-fluorophosphoryl]oxy-1,1-difluoroethane
CID 164935703
bis(2,2-difluoroethyl) hydrogen phosphate;N-propan-2-ylpropan-2-amine
CID 118073235
8-[[chloro(2-heptylundecoxy)phosphoryl]oxymethyl]heptadecane
CID 11072206
1,1-dichloro-3-[chloro(3,3-dichloropropoxy)phosphoryl]oxypropane
CID 142627107
2-[2-[2-[2-[2-(2,2-difluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1-difluoroethane
CID 170162541
4-[bis(2,2-difluoroethoxy)phosphoryl]-1,3-dioxolan-2-one
CID 130466643
2-[chloro(2-trimethylsilylethoxy)phosphoryl]oxyethyl-trimethylsilane
CID 11666839
2,3,4-trifluorobutyl dihydrogen phosphate
CID 90465448
2-[chloro(fluoromethoxy)phosphoryl]propane
CID 88777535
bis(2,3,3-trifluoropropyl) hydrogen phosphate
CID 159316002
fluoro(2-fluoropropoxy)phosphinic acid
CID 150074483
2-(2,2-difluoroethoxymethoxymethoxy)-1,1-difluoroethane
CID 172816693

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(2,2-difluoroethoxy)phosphoryl]oxy-1,1-difluoroethane?
The IUPAC name of 2-[chloro(2,2-difluoroethoxy)phosphoryl]oxy-1,1-difluoroethane (CID 15502709) is 2-[chloro(2,2-difluoroethoxy)phosphoryl]oxy-1,1-difluoroethane.
What is the SMILES notation for 2-[chloro(2,2-difluoroethoxy)phosphoryl]oxy-1,1-difluoroethane?
The canonical SMILES for 2-[chloro(2,2-difluoroethoxy)phosphoryl]oxy-1,1-difluoroethane is O=P(Cl)(OCC(F)F)OCC(F)F.
What is the InChIKey of 2-[chloro(2,2-difluoroethoxy)phosphoryl]oxy-1,1-difluoroethane?
The InChIKey is QGEFCORWNUSURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClF4O3P/c5-13(10,11-1-3(6)7)12-2-4(8)9/h3-4H,1-2H2.
What are the key properties of 2-[chloro(2,2-difluoroethoxy)phosphoryl]oxy-1,1-difluoroethane?
2-[chloro(2,2-difluoroethoxy)phosphoryl]oxy-1,1-difluoroethane has a molecular weight of 244.51 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(2,2-difluoroethoxy)phosphoryl]oxy-1,1-difluoroethane is sourced from PubChem (CID 15502709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).