1,1,1-trifluoro-3-methylpentan-3-ol

C6H11F3O — CID 59898442

IUPAC1,1,1-trifluoro-3-methylpentan-3-ol
SMILESCCC(C)(O)CC(F)(F)F
InChIInChI=1S/C6H11F3O/c1-3-5(2,10)4-6(7,8)9/h10H,3-4H2,1-2H3
InChIKeySDSQXJVMCMSJRY-UHFFFAOYSA-N
MW156.15 g/mol
LogP2.10
Rot. Bonds2

About 1,1,1-trifluoro-3-methylpentan-3-ol

1,1,1-trifluoro-3-methylpentan-3-ol (PubChem CID 59898442) has the molecular formula C6H11F3O and a molecular weight of 156.15 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methylpentan-3-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methylpentan-3-ol
PubChem CID59898442
Molecular FormulaC6H11F3O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name1,1,1-trifluoro-3-methylpentan-3-ol
SMILESCCC(C)(O)CC(F)(F)F
InChIInChI=1S/C6H11F3O/c1-3-5(2,10)4-6(7,8)9/h10H,3-4H2,1-2H3
InChIKeySDSQXJVMCMSJRY-UHFFFAOYSA-N
XLogP2.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-methylpentan-3-ol?
The IUPAC name of 1,1,1-trifluoro-3-methylpentan-3-ol (CID 59898442) is 1,1,1-trifluoro-3-methylpentan-3-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-methylpentan-3-ol?
The canonical SMILES for 1,1,1-trifluoro-3-methylpentan-3-ol is CCC(C)(O)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-methylpentan-3-ol?
The InChIKey is SDSQXJVMCMSJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O/c1-3-5(2,10)4-6(7,8)9/h10H,3-4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-methylpentan-3-ol?
1,1,1-trifluoro-3-methylpentan-3-ol has a molecular weight of 156.15 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-methylpentan-3-ol is sourced from PubChem (CID 59898442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).