1,1,2,2-tetrafluoro-4-(1,2,2-trifluoroethenoxy)butane

C6H5F7O — CID 123447457

IUPAC1,1,2,2-tetrafluoro-4-(1,2,2-trifluoroethenoxy)butane
SMILESFC(F)=C(F)OCCC(F)(F)C(F)F
InChIInChI=1S/C6H5F7O/c7-3(8)4(9)14-2-1-6(12,13)5(10)11/h5H,1-2H2
InChIKeyPFTPICNOQGULEK-UHFFFAOYSA-N
MW226.09 g/mol
LogP3.33
Rot. Bonds5

About 1,1,2,2-tetrafluoro-4-(1,2,2-trifluoroethenoxy)butane

1,1,2,2-tetrafluoro-4-(1,2,2-trifluoroethenoxy)butane (PubChem CID 123447457) has the molecular formula C6H5F7O and a molecular weight of 226.09 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-4-(1,2,2-trifluoroethenoxy)butane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-4-(1,2,2-trifluoroethenoxy)butane
PubChem CID123447457
Molecular FormulaC6H5F7O
Molecular Weight226.09 g/mol
Exact Mass226.02
IUPAC Name1,1,2,2-tetrafluoro-4-(1,2,2-trifluoroethenoxy)butane
SMILESFC(F)=C(F)OCCC(F)(F)C(F)F
InChIInChI=1S/C6H5F7O/c7-3(8)4(9)14-2-1-6(12,13)5(10)11/h5H,1-2H2
InChIKeyPFTPICNOQGULEK-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.09
LogP ≤ 53.33
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

1,1,2,2-tetrafluoro-4-(3,3,4,4-tetrafluorobutoxy)butane
CID 87136906
1,1,2,2,3,3,4,4-octafluoro-5-(1,2,2-trifluoroethenoxy)pentane
CID 10018385
3,3,4,4-tetrafluorobutan-1-amine;hydrochloride
CID 138991551
4,4,5,5-tetrafluoropentan-1-amine
CID 130986187
1,1,2-trifluoro-2-(2-methoxyethoxy)ethene
CID 58151494
1,1,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethane
CID 14150208
4-chloro-1,1,2,2-tetrafluorobutane
CID 54131491
1,1,2,2,3,3-hexafluoro-1-(1,2,2-trifluoroethenoxy)propane
CID 6365941
3,3,4,4-tetrafluoro-N-(3,3,4,4-tetrafluorobutyl)butan-1-amine
CID 172565161
1,1,2,2-tetrafluoro-3-hydroperoxypropane
CID 162542165
6-(1,2,2-trifluoroethenoxy)hexanenitrile
CID 87328164
2-(difluoromethyl)-1,1,1,2,5,5,6,6-octafluorohexane
CID 54187869

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-4-(1,2,2-trifluoroethenoxy)butane?
The IUPAC name of 1,1,2,2-tetrafluoro-4-(1,2,2-trifluoroethenoxy)butane (CID 123447457) is 1,1,2,2-tetrafluoro-4-(1,2,2-trifluoroethenoxy)butane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-4-(1,2,2-trifluoroethenoxy)butane?
The canonical SMILES for 1,1,2,2-tetrafluoro-4-(1,2,2-trifluoroethenoxy)butane is FC(F)=C(F)OCCC(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-4-(1,2,2-trifluoroethenoxy)butane?
The InChIKey is PFTPICNOQGULEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7O/c7-3(8)4(9)14-2-1-6(12,13)5(10)11/h5H,1-2H2.
What are the key properties of 1,1,2,2-tetrafluoro-4-(1,2,2-trifluoroethenoxy)butane?
1,1,2,2-tetrafluoro-4-(1,2,2-trifluoroethenoxy)butane has a molecular weight of 226.09 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-4-(1,2,2-trifluoroethenoxy)butane is sourced from PubChem (CID 123447457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).