2,2,3,4,4,4-hexafluorobutan-1-ol

C4H4F6O — CID 533990

IUPAC2,2,3,4,4,4-hexafluorobutan-1-ol
SMILESOCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C4H4F6O/c5-2(4(8,9)10)3(6,7)1-11/h2,11H,1H2
InChIKeyLVFXLZRISXUAIL-UHFFFAOYSA-N
MW182.06 g/mol
LogP1.51
Rot. Bonds2

About 2,2,3,4,4,4-hexafluorobutan-1-ol

2,2,3,4,4,4-hexafluorobutan-1-ol (PubChem CID 533990) has the molecular formula C4H4F6O and a molecular weight of 182.06 g/mol. Its IUPAC name is 2,2,3,4,4,4-hexafluorobutan-1-ol.

Molecular Properties

Compound Name2,2,3,4,4,4-hexafluorobutan-1-ol
PubChem CID533990
Molecular FormulaC4H4F6O
Molecular Weight182.06 g/mol
Exact Mass182.02
IUPAC Name2,2,3,4,4,4-hexafluorobutan-1-ol
SMILESOCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C4H4F6O/c5-2(4(8,9)10)3(6,7)1-11/h2,11H,1H2
InChIKeyLVFXLZRISXUAIL-UHFFFAOYSA-N
XLogP1.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.06
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,4,4-hexafluorobutan-1-ol?
The IUPAC name of 2,2,3,4,4,4-hexafluorobutan-1-ol (CID 533990) is 2,2,3,4,4,4-hexafluorobutan-1-ol.
What is the SMILES notation for 2,2,3,4,4,4-hexafluorobutan-1-ol?
The canonical SMILES for 2,2,3,4,4,4-hexafluorobutan-1-ol is OCC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 2,2,3,4,4,4-hexafluorobutan-1-ol?
The InChIKey is LVFXLZRISXUAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6O/c5-2(4(8,9)10)3(6,7)1-11/h2,11H,1H2.
What are the key properties of 2,2,3,4,4,4-hexafluorobutan-1-ol?
2,2,3,4,4,4-hexafluorobutan-1-ol has a molecular weight of 182.06 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,4,4-hexafluorobutan-1-ol is sourced from PubChem (CID 533990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).