4,4,4-trifluoro-3-(trifluoromethyl)butan-1-ol

C5H6F6O — CID 2777997

IUPAC4,4,4-trifluoro-3-(trifluoromethyl)butan-1-ol
SMILESOCCC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6O/c6-4(7,8)3(1-2-12)5(9,10)11/h3,12H,1-2H2
InChIKeyQVBSTTDILOTTKQ-UHFFFAOYSA-N
MW196.09 g/mol
LogP2.11
Rot. Bonds2

About 4,4,4-trifluoro-3-(trifluoromethyl)butan-1-ol

4,4,4-trifluoro-3-(trifluoromethyl)butan-1-ol (PubChem CID 2777997) has the molecular formula C5H6F6O and a molecular weight of 196.09 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(trifluoromethyl)butan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(trifluoromethyl)butan-1-ol
PubChem CID2777997
Molecular FormulaC5H6F6O
Molecular Weight196.09 g/mol
Exact Mass196.03
IUPAC Name4,4,4-trifluoro-3-(trifluoromethyl)butan-1-ol
SMILESOCCC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6O/c6-4(7,8)3(1-2-12)5(9,10)11/h3,12H,1-2H2
InChIKeyQVBSTTDILOTTKQ-UHFFFAOYSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.09
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(trifluoromethyl)butan-1-ol?
The IUPAC name of 4,4,4-trifluoro-3-(trifluoromethyl)butan-1-ol (CID 2777997) is 4,4,4-trifluoro-3-(trifluoromethyl)butan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-3-(trifluoromethyl)butan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-3-(trifluoromethyl)butan-1-ol is OCCC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(trifluoromethyl)butan-1-ol?
The InChIKey is QVBSTTDILOTTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6O/c6-4(7,8)3(1-2-12)5(9,10)11/h3,12H,1-2H2.
What are the key properties of 4,4,4-trifluoro-3-(trifluoromethyl)butan-1-ol?
4,4,4-trifluoro-3-(trifluoromethyl)butan-1-ol has a molecular weight of 196.09 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(trifluoromethyl)butan-1-ol is sourced from PubChem (CID 2777997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).