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

C5H5F7O — CID 174988220

IUPAC3-(2,2-difluoroethoxy)-1,1,1,2,2-pentafluoropropane
SMILESFC(F)COCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F7O/c6-3(7)1-13-2-4(8,9)5(10,11)12/h3H,1-2H2
InChIKeyKDQGUBJSFJDAGH-UHFFFAOYSA-N
MW214.08 g/mol
LogP2.47
Rot. Bonds4

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

3-(2,2-difluoroethoxy)-1,1,1,2,2-pentafluoropropane (PubChem CID 174988220) has the molecular formula C5H5F7O and a molecular weight of 214.08 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1,1,1,2,2-pentafluoropropane.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1,1,1,2,2-pentafluoropropane
PubChem CID174988220
Molecular FormulaC5H5F7O
Molecular Weight214.08 g/mol
Exact Mass214.02
IUPAC Name3-(2,2-difluoroethoxy)-1,1,1,2,2-pentafluoropropane
SMILESFC(F)COCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F7O/c6-3(7)1-13-2-4(8,9)5(10,11)12/h3H,1-2H2
InChIKeyKDQGUBJSFJDAGH-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.08
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,2,3,3,4,4,4-heptafluorobutoxy)-3-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol
CID 142737837
1-(2,2-difluoroethoxy)-3-(2,2-difluoro-2-hydroxyethoxy)propan-2-ol
CID 154623548
1,1,1,2,2,4-hexafluoro-4-(1,3,3,4,4,4-hexafluorobutoxy)butane
CID 87404222
1,3-bis(2,2,3,3,4,4,4-heptafluorobutoxy)propan-2-ol
CID 98454538
3-(2,2-difluoroethoxy)-1,1,1-trifluoropropane
CID 126707171
1-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)-3-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol
CID 142737839
2-(2,2-difluoroethoxymethoxymethoxy)-1,1-difluoroethane
CID 172816693
2-[2-[2-[2-[2-(2,2-difluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1-difluoroethane
CID 170162541
1-(3-fluorophenyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanamine
CID 107523834
(2R)-3-(2,2,3,3,4,4,4-heptafluorobutoxy)propane-1,2-diol
CID 95757053
2,2,3,3,3-pentafluoropropyl bis(2,2,3,3-tetrafluoropropyl) phosphate
CID 87338363
2,2-difluoroethoxymethanamine
CID 162615781

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1,1,1,2,2-pentafluoropropane?
The IUPAC name of 3-(2,2-difluoroethoxy)-1,1,1,2,2-pentafluoropropane (CID 174988220) is 3-(2,2-difluoroethoxy)-1,1,1,2,2-pentafluoropropane.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1,1,1,2,2-pentafluoropropane?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1,1,1,2,2-pentafluoropropane is FC(F)COCC(F)(F)C(F)(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1,1,1,2,2-pentafluoropropane?
The InChIKey is KDQGUBJSFJDAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F7O/c6-3(7)1-13-2-4(8,9)5(10,11)12/h3H,1-2H2.
What are the key properties of 3-(2,2-difluoroethoxy)-1,1,1,2,2-pentafluoropropane?
3-(2,2-difluoroethoxy)-1,1,1,2,2-pentafluoropropane has a molecular weight of 214.08 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1,1,1,2,2-pentafluoropropane is sourced from PubChem (CID 174988220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).