4,4,4-trifluoro-3-methylbutan-2-ol

C5H9F3O — CID 13299827

IUPAC4,4,4-trifluoro-3-methylbutan-2-ol
SMILESCC(O)C(C)C(F)(F)F
InChIInChI=1S/C5H9F3O/c1-3(4(2)9)5(6,7)8/h3-4,9H,1-2H3
InChIKeyDBGLNXPQPLIKCB-UHFFFAOYSA-N
MW142.12 g/mol
LogP1.57
Rot. Bonds1

About 4,4,4-trifluoro-3-methylbutan-2-ol

4,4,4-trifluoro-3-methylbutan-2-ol (PubChem CID 13299827) has the molecular formula C5H9F3O and a molecular weight of 142.12 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-methylbutan-2-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-3-methylbutan-2-ol
PubChem CID13299827
Molecular FormulaC5H9F3O
Molecular Weight142.12 g/mol
Exact Mass142.06
IUPAC Name4,4,4-trifluoro-3-methylbutan-2-ol
SMILESCC(O)C(C)C(F)(F)F
InChIInChI=1S/C5H9F3O/c1-3(4(2)9)5(6,7)8/h3-4,9H,1-2H3
InChIKeyDBGLNXPQPLIKCB-UHFFFAOYSA-N
XLogP1.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 51.57
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-methylbutan-2-ol?
The IUPAC name of 4,4,4-trifluoro-3-methylbutan-2-ol (CID 13299827) is 4,4,4-trifluoro-3-methylbutan-2-ol.
What is the SMILES notation for 4,4,4-trifluoro-3-methylbutan-2-ol?
The canonical SMILES for 4,4,4-trifluoro-3-methylbutan-2-ol is CC(O)C(C)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-methylbutan-2-ol?
The InChIKey is DBGLNXPQPLIKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3O/c1-3(4(2)9)5(6,7)8/h3-4,9H,1-2H3.
What are the key properties of 4,4,4-trifluoro-3-methylbutan-2-ol?
4,4,4-trifluoro-3-methylbutan-2-ol has a molecular weight of 142.12 g/mol, XLogP of 1.57, 1 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-methylbutan-2-ol is sourced from PubChem (CID 13299827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).