3,3,4,4-tetrafluorobutan-2-ol

C4H6F4O — CID 28533

IUPAC3,3,4,4-tetrafluorobutan-2-ol
SMILESCC(O)C(F)(F)C(F)F
InChIInChI=1S/C4H6F4O/c1-2(9)4(7,8)3(5)6/h2-3,9H,1H3
InChIKeyUPMGUZUMWYWMKI-UHFFFAOYSA-N
MW146.08 g/mol
LogP1.27
Rot. Bonds2

About 3,3,4,4-tetrafluorobutan-2-ol

3,3,4,4-tetrafluorobutan-2-ol (PubChem CID 28533) has the molecular formula C4H6F4O and a molecular weight of 146.08 g/mol. Its IUPAC name is 3,3,4,4-tetrafluorobutan-2-ol.

Molecular Properties

Compound Name3,3,4,4-tetrafluorobutan-2-ol
PubChem CID28533
Molecular FormulaC4H6F4O
Molecular Weight146.08 g/mol
Exact Mass146.04
IUPAC Name3,3,4,4-tetrafluorobutan-2-ol
SMILESCC(O)C(F)(F)C(F)F
InChIInChI=1S/C4H6F4O/c1-2(9)4(7,8)3(5)6/h2-3,9H,1H3
InChIKeyUPMGUZUMWYWMKI-UHFFFAOYSA-N
XLogP1.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.08
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-Trifluoro-2-propanol
CID 9774
3,3,4,4,5,5,5-Heptafluoropentan-2-ol
CID 78992
1,1,1,3,3,4,4,4-Octafluoro-2-butanol
CID 4407544
3,3,4,4,4-Pentafluorobutan-2-ol
CID 78991
(2S)-1,1,1-Trifluoropropan-2-ol
CID 6999971
2-Butanol, 4,4-difluoro-
CID 46412
1-(2H-Perfluoropropyl)ethanol
CID 2775019
1,1,1-Trifluorobutan-2-ol
CID 11332471
1,1-Difluoropropan-2-ol
CID 17775974
2,2,3,3-Tetrafluorobutan-1-ol
CID 15724799
4,4-Difluoropentan-2-ol
CID 54493083
1,1-Difluoropentan-2-ol
CID 80611194

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluorobutan-2-ol?
The IUPAC name of 3,3,4,4-tetrafluorobutan-2-ol (CID 28533) is 3,3,4,4-tetrafluorobutan-2-ol.
What is the SMILES notation for 3,3,4,4-tetrafluorobutan-2-ol?
The canonical SMILES for 3,3,4,4-tetrafluorobutan-2-ol is CC(O)C(F)(F)C(F)F.
What is the InChIKey of 3,3,4,4-tetrafluorobutan-2-ol?
The InChIKey is UPMGUZUMWYWMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4O/c1-2(9)4(7,8)3(5)6/h2-3,9H,1H3.
What are the key properties of 3,3,4,4-tetrafluorobutan-2-ol?
3,3,4,4-tetrafluorobutan-2-ol has a molecular weight of 146.08 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluorobutan-2-ol is sourced from PubChem (CID 28533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).