3,4,4,4-tetrafluoro-3-methylbutan-1-ol

C5H8F4O — CID 142168875

IUPAC3,4,4,4-tetrafluoro-3-methylbutan-1-ol
SMILESCC(F)(CCO)C(F)(F)F
InChIInChI=1S/C5H8F4O/c1-4(6,2-3-10)5(7,8)9/h10H,2-3H2,1H3
InChIKeyQOCJYURGWFRKQI-UHFFFAOYSA-N
MW160.11 g/mol
LogP1.66
Rot. Bonds2

About 3,4,4,4-tetrafluoro-3-methylbutan-1-ol

3,4,4,4-tetrafluoro-3-methylbutan-1-ol (PubChem CID 142168875) has the molecular formula C5H8F4O and a molecular weight of 160.11 g/mol. Its IUPAC name is 3,4,4,4-tetrafluoro-3-methylbutan-1-ol.

Molecular Properties

Compound Name3,4,4,4-tetrafluoro-3-methylbutan-1-ol
PubChem CID142168875
Molecular FormulaC5H8F4O
Molecular Weight160.11 g/mol
Exact Mass160.05
IUPAC Name3,4,4,4-tetrafluoro-3-methylbutan-1-ol
SMILESCC(F)(CCO)C(F)(F)F
InChIInChI=1S/C5H8F4O/c1-4(6,2-3-10)5(7,8)9/h10H,2-3H2,1H3
InChIKeyQOCJYURGWFRKQI-UHFFFAOYSA-N
XLogP1.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.11
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-Difluorobutan-1-ol
CID 21880591
3,3-Difluorobutan-1-ol
CID 53831960
2(Perfluoro-2-propyl)ethanol
CID 2782615
2,2,3,4,4,4-Hexafluoro-3-(trifluoromethyl)butan-1-ol
CID 44717703
3,3,3-Trifluoro-2,2-dimethylpropan-1-ol
CID 59951355
2,2,3,3-Tetrafluorobutan-1-ol
CID 15724799
(2S)-2-fluoro-3-methylbutan-1-ol
CID 10582748
3,3,4,5,5,5-Hexafluoro-2-methylpentan-1-ol
CID 115661
4,4,4-Trifluoro-3-methylbutan-1-ol
CID 274355
3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propan-1-ol
CID 2736185
4,4,4-Trifluoro-2-methylbutan-1-ol
CID 2775532
4,4,4-Trifluoro-3,3-bis(trifluoromethyl)-1-butanol
CID 2782627

Frequently Asked Questions

What is the IUPAC name of 3,4,4,4-tetrafluoro-3-methylbutan-1-ol?
The IUPAC name of 3,4,4,4-tetrafluoro-3-methylbutan-1-ol (CID 142168875) is 3,4,4,4-tetrafluoro-3-methylbutan-1-ol.
What is the SMILES notation for 3,4,4,4-tetrafluoro-3-methylbutan-1-ol?
The canonical SMILES for 3,4,4,4-tetrafluoro-3-methylbutan-1-ol is CC(F)(CCO)C(F)(F)F.
What is the InChIKey of 3,4,4,4-tetrafluoro-3-methylbutan-1-ol?
The InChIKey is QOCJYURGWFRKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F4O/c1-4(6,2-3-10)5(7,8)9/h10H,2-3H2,1H3.
What are the key properties of 3,4,4,4-tetrafluoro-3-methylbutan-1-ol?
3,4,4,4-tetrafluoro-3-methylbutan-1-ol has a molecular weight of 160.11 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,4-tetrafluoro-3-methylbutan-1-ol is sourced from PubChem (CID 142168875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).