1-fluoro-1-(1,1,2,2,2-pentafluoroethoxy)propane

C5H6F6O — CID 174963973

IUPAC1-fluoro-1-(1,1,2,2,2-pentafluoroethoxy)propane
SMILESCCC(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F6O/c1-2-3(6)12-5(10,11)4(7,8)9/h3H,2H2,1H3
InChIKeyFRWBWYQKIBRBDR-UHFFFAOYSA-N
MW196.09 g/mol
LogP2.86
Rot. Bonds3

About 1-fluoro-1-(1,1,2,2,2-pentafluoroethoxy)propane

1-fluoro-1-(1,1,2,2,2-pentafluoroethoxy)propane (PubChem CID 174963973) has the molecular formula C5H6F6O and a molecular weight of 196.09 g/mol. Its IUPAC name is 1-fluoro-1-(1,1,2,2,2-pentafluoroethoxy)propane.

Molecular Properties

Compound Name1-fluoro-1-(1,1,2,2,2-pentafluoroethoxy)propane
PubChem CID174963973
Molecular FormulaC5H6F6O
Molecular Weight196.09 g/mol
Exact Mass196.03
IUPAC Name1-fluoro-1-(1,1,2,2,2-pentafluoroethoxy)propane
SMILESCCC(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F6O/c1-2-3(6)12-5(10,11)4(7,8)9/h3H,2H2,1H3
InChIKeyFRWBWYQKIBRBDR-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.09
LogP ≤ 52.86
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-[1,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1,2,2,2-pentafluoroethane
CID 175740142
1-(2,2-difluoro-1-methoxyethoxy)-1,1,2,2,2-pentafluoroethane
CID 173044414
1-(dichloromethoxy)-1,1,2,2,2-pentafluoroethane
CID 20606324
1,1,1,2,2,3,3-heptafluoro-3-[1-[1-(1,1,2,2,3,3,3-heptafluoropropoxy)propylperoxy]propoxy]propane
CID 88898107
1-fluoropropyl 2,2,2-trifluoroacetate
CID 151523530
1-(2-ethylsulfanyl-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane
CID 163198787
1,1,1,2,2,3-hexafluoropentane;zirconium(2+)
CID 19359359
1,1,1,2,2-pentafluoro-2-(1,2,2-trichloro-2-fluoroethoxy)ethane
CID 131727729
1,1,1-trifluoro-2-methyl-2-(1,2,2-trifluoroethoxy)butane
CID 130434954
1,1,1,2,2,4-hexafluoro-4-(1,3,3,4,4,4-hexafluorobutoxy)butane
CID 87404222
3-fluoro-3-(trifluoromethyl)pentane
CID 59742437
3,4,4-trifluoroheptane;hydrofluoride
CID 90932672

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(1,1,2,2,2-pentafluoroethoxy)propane?
The IUPAC name of 1-fluoro-1-(1,1,2,2,2-pentafluoroethoxy)propane (CID 174963973) is 1-fluoro-1-(1,1,2,2,2-pentafluoroethoxy)propane.
What is the SMILES notation for 1-fluoro-1-(1,1,2,2,2-pentafluoroethoxy)propane?
The canonical SMILES for 1-fluoro-1-(1,1,2,2,2-pentafluoroethoxy)propane is CCC(F)OC(F)(F)C(F)(F)F.
What is the InChIKey of 1-fluoro-1-(1,1,2,2,2-pentafluoroethoxy)propane?
The InChIKey is FRWBWYQKIBRBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6O/c1-2-3(6)12-5(10,11)4(7,8)9/h3H,2H2,1H3.
What are the key properties of 1-fluoro-1-(1,1,2,2,2-pentafluoroethoxy)propane?
1-fluoro-1-(1,1,2,2,2-pentafluoroethoxy)propane has a molecular weight of 196.09 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(1,1,2,2,2-pentafluoroethoxy)propane is sourced from PubChem (CID 174963973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).