2-(2,2-difluoroethenoxy)-1,1,1,2-tetrafluoropropane

C5H4F6O — CID 59078965

IUPAC2-(2,2-difluoroethenoxy)-1,1,1,2-tetrafluoropropane
SMILESCC(F)(OC=C(F)F)C(F)(F)F
InChIInChI=1S/C5H4F6O/c1-4(8,5(9,10)11)12-2-3(6)7/h2H,1H3
InChIKeyXPTVMIRVWDXNMU-UHFFFAOYSA-N
MW194.07 g/mol
LogP2.99
Rot. Bonds2

About 2-(2,2-difluoroethenoxy)-1,1,1,2-tetrafluoropropane

2-(2,2-difluoroethenoxy)-1,1,1,2-tetrafluoropropane (PubChem CID 59078965) has the molecular formula C5H4F6O and a molecular weight of 194.07 g/mol. Its IUPAC name is 2-(2,2-difluoroethenoxy)-1,1,1,2-tetrafluoropropane.

Molecular Properties

Compound Name2-(2,2-difluoroethenoxy)-1,1,1,2-tetrafluoropropane
PubChem CID59078965
Molecular FormulaC5H4F6O
Molecular Weight194.07 g/mol
Exact Mass194.02
IUPAC Name2-(2,2-difluoroethenoxy)-1,1,1,2-tetrafluoropropane
SMILESCC(F)(OC=C(F)F)C(F)(F)F
InChIInChI=1S/C5H4F6O/c1-4(8,5(9,10)11)12-2-3(6)7/h2H,1H3
InChIKeyXPTVMIRVWDXNMU-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.07
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-(2,2-difluoroethenoxy)-1,1,1,2-tetrafluoropropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopentane;1,1-difluoro-2-(trifluoromethoxy)ethene
CID 175120535
1,1,2,2-tetrafluoro-2-(1,1,1,2-tetrafluoropropan-2-yloxy)ethanol
CID 89282246
1,1,1,2-tetrafluoropropan-2-yl 2,3,3-trifluoroprop-2-enoate
CID 87871976
1,1,1,2-tetrafluoropropan-2-yl prop-2-enoate
CID 139659236
1,1,1-trifluoro-2,2-dimethylpropane;2,3,3-trimethylbutan-2-ol
CID 167694152
1,1,1,2,2,3,3-heptafluoro-3-(2,3,3-trifluoroprop-1-enoxy)propane
CID 166486272
1,1-difluoro-3,3-dimethylbut-1-ene
CID 11542776
1,1,1-trifluoro-2-methoxy-2-methylpropane
CID 21360384
2,3-difluoro-2,3-dimethoxybutane
CID 174333179
1,1,1,2-tetrafluoro-2,3,3-trimethylbutane
CID 88943040
(E)-1,2-difluoroprop-1-ene;trifluoro(methoxy)methane
CID 165078646
1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane
CID 59685373

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenoxy)-1,1,1,2-tetrafluoropropane?
The IUPAC name of 2-(2,2-difluoroethenoxy)-1,1,1,2-tetrafluoropropane (CID 59078965) is 2-(2,2-difluoroethenoxy)-1,1,1,2-tetrafluoropropane.
What is the SMILES notation for 2-(2,2-difluoroethenoxy)-1,1,1,2-tetrafluoropropane?
The canonical SMILES for 2-(2,2-difluoroethenoxy)-1,1,1,2-tetrafluoropropane is CC(F)(OC=C(F)F)C(F)(F)F.
What is the InChIKey of 2-(2,2-difluoroethenoxy)-1,1,1,2-tetrafluoropropane?
The InChIKey is XPTVMIRVWDXNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O/c1-4(8,5(9,10)11)12-2-3(6)7/h2H,1H3.
What are the key properties of 2-(2,2-difluoroethenoxy)-1,1,1,2-tetrafluoropropane?
2-(2,2-difluoroethenoxy)-1,1,1,2-tetrafluoropropane has a molecular weight of 194.07 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethenoxy)-1,1,1,2-tetrafluoropropane is sourced from PubChem (CID 59078965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).