3-(1,2-difluoroethenoxy)-1,1,1,2,2-pentafluoropropane

C5H3F7O — CID 57075811

IUPAC3-(1,2-difluoroethenoxy)-1,1,1,2,2-pentafluoropropane
SMILESFC=C(F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F7O/c6-1-3(7)13-2-4(8,9)5(10,11)12/h1H,2H2
InChIKeyWZIBXOFKLJNTRZ-UHFFFAOYSA-N
MW212.06 g/mol
LogP2.94
Rot. Bonds3

About 3-(1,2-difluoroethenoxy)-1,1,1,2,2-pentafluoropropane

3-(1,2-difluoroethenoxy)-1,1,1,2,2-pentafluoropropane (PubChem CID 57075811) has the molecular formula C5H3F7O and a molecular weight of 212.06 g/mol. Its IUPAC name is 3-(1,2-difluoroethenoxy)-1,1,1,2,2-pentafluoropropane.

Molecular Properties

Compound Name3-(1,2-difluoroethenoxy)-1,1,1,2,2-pentafluoropropane
PubChem CID57075811
Molecular FormulaC5H3F7O
Molecular Weight212.06 g/mol
Exact Mass212.01
IUPAC Name3-(1,2-difluoroethenoxy)-1,1,1,2,2-pentafluoropropane
SMILESFC=C(F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F7O/c6-1-3(7)13-2-4(8,9)5(10,11)12/h1H,2H2
InChIKeyWZIBXOFKLJNTRZ-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.06
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroacetate
CID 23155340
1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,3-pentafluoropropoxy)hex-1-ene
CID 175759797
ethenyl 2,2,3,3,3-pentafluoropropyl carbonate
CID 164944791
2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate
CID 134264826
2,2,3,3,3-pentafluoropropyl N-methylcarbamate
CID 141285838
2,2,3,3,3-pentafluoropropyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl carbonate
CID 99769571
2,2,3,3,3-pentafluoropropyl 2,2-dimethylbutanoate
CID 59693462
1,1,1,2,2-pentafluoro-3-methoxypropane
CID 2776015
2-(2,2,3,3,3-pentafluoropropoxy)acetamide
CID 103725375
2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)carbamate
CID 141285834
[(E)-3-(diethylamino)-2-(2,2,3,3,3-pentafluoropropoxy)prop-2-enylidene]-dimethylazanium
CID 15321239
1-(2,2,3,3,4,4,4-heptafluorobutoxy)-3-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol
CID 142737837

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-difluoroethenoxy)-1,1,1,2,2-pentafluoropropane?
The IUPAC name of 3-(1,2-difluoroethenoxy)-1,1,1,2,2-pentafluoropropane (CID 57075811) is 3-(1,2-difluoroethenoxy)-1,1,1,2,2-pentafluoropropane.
What is the SMILES notation for 3-(1,2-difluoroethenoxy)-1,1,1,2,2-pentafluoropropane?
The canonical SMILES for 3-(1,2-difluoroethenoxy)-1,1,1,2,2-pentafluoropropane is FC=C(F)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 3-(1,2-difluoroethenoxy)-1,1,1,2,2-pentafluoropropane?
The InChIKey is WZIBXOFKLJNTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7O/c6-1-3(7)13-2-4(8,9)5(10,11)12/h1H,2H2.
What are the key properties of 3-(1,2-difluoroethenoxy)-1,1,1,2,2-pentafluoropropane?
3-(1,2-difluoroethenoxy)-1,1,1,2,2-pentafluoropropane has a molecular weight of 212.06 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-difluoroethenoxy)-1,1,1,2,2-pentafluoropropane is sourced from PubChem (CID 57075811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).