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

C4H4F6O — CID 21049771

IUPAC1,1,1,3,3,4-hexafluorobutan-2-ol
SMILESOC(C(F)(F)F)C(F)(F)CF
InChIInChI=1S/C4H4F6O/c5-1-3(6,7)2(11)4(8,9)10/h2,11H,1H2
InChIKeySWWFXBHASKXXDE-UHFFFAOYSA-N
MW182.06 g/mol
LogP1.51
Rot. Bonds2

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

1,1,1,3,3,4-hexafluorobutan-2-ol (PubChem CID 21049771) has the molecular formula C4H4F6O and a molecular weight of 182.06 g/mol. Its IUPAC name is 1,1,1,3,3,4-hexafluorobutan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,4-hexafluorobutan-2-ol
PubChem CID21049771
Molecular FormulaC4H4F6O
Molecular Weight182.06 g/mol
Exact Mass182.02
IUPAC Name1,1,1,3,3,4-hexafluorobutan-2-ol
SMILESOC(C(F)(F)F)C(F)(F)CF
InChIInChI=1S/C4H4F6O/c5-1-3(6,7)2(11)4(8,9)10/h2,11H,1H2
InChIKeySWWFXBHASKXXDE-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

Analyze 1,1,1,3,3,4-hexafluorobutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,3,3,3-Hexafluoro-2-propanol
CID 13529
2,2,3,3-Tetrafluoro-1-propanol
CID 6441
3,3,4,4,4-Pentafluorobutan-1-ol
CID 108644
3,3,4,4-Tetrafluoro-2-butanol, tech.
CID 28533
3,3,4,4,5,5,5-Heptafluoropentan-2-ol
CID 78992
2,2,3,4,4,4-Hexafluorobutan-1-ol
CID 533990
1,1,1,3,3,4,4,4-Octafluoro-2-butanol
CID 4407544
3,3,4,4,4-Pentafluorobutan-2-ol
CID 78991
2,3,3,3-Tetrafluoropropan-1-ol
CID 21644226
2-Butanol, 4,4-difluoro-
CID 46412
1,1,1,3,3,3-Hexafluoro(2-2H)propan-2-(2H)ol
CID 2724852
1-(2H-Perfluoropropyl)ethanol
CID 2775019

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,4-hexafluorobutan-2-ol?
The IUPAC name of 1,1,1,3,3,4-hexafluorobutan-2-ol (CID 21049771) is 1,1,1,3,3,4-hexafluorobutan-2-ol.
What is the SMILES notation for 1,1,1,3,3,4-hexafluorobutan-2-ol?
The canonical SMILES for 1,1,1,3,3,4-hexafluorobutan-2-ol is OC(C(F)(F)F)C(F)(F)CF.
What is the InChIKey of 1,1,1,3,3,4-hexafluorobutan-2-ol?
The InChIKey is SWWFXBHASKXXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6O/c5-1-3(6,7)2(11)4(8,9)10/h2,11H,1H2.
What are the key properties of 1,1,1,3,3,4-hexafluorobutan-2-ol?
1,1,1,3,3,4-hexafluorobutan-2-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 1,1,1,3,3,4-hexafluorobutan-2-ol is sourced from PubChem (CID 21049771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).