5,5,5-trifluoro-4-methylpentan-2-ol

C6H11F3O — CID 13299823

IUPAC5,5,5-trifluoro-4-methylpentan-2-ol
SMILESCC(O)CC(C)C(F)(F)F
InChIInChI=1S/C6H11F3O/c1-4(3-5(2)10)6(7,8)9/h4-5,10H,3H2,1-2H3
InChIKeyMRYQZGSLWFAXHX-UHFFFAOYSA-N
MW156.15 g/mol
LogP1.96
Rot. Bonds2

About 5,5,5-trifluoro-4-methylpentan-2-ol

5,5,5-trifluoro-4-methylpentan-2-ol (PubChem CID 13299823) has the molecular formula C6H11F3O and a molecular weight of 156.15 g/mol. Its IUPAC name is 5,5,5-trifluoro-4-methylpentan-2-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-4-methylpentan-2-ol
PubChem CID13299823
Molecular FormulaC6H11F3O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name5,5,5-trifluoro-4-methylpentan-2-ol
SMILESCC(O)CC(C)C(F)(F)F
InChIInChI=1S/C6H11F3O/c1-4(3-5(2)10)6(7,8)9/h4-5,10H,3H2,1-2H3
InChIKeyMRYQZGSLWFAXHX-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-4-methylpentan-2-ol?
The IUPAC name of 5,5,5-trifluoro-4-methylpentan-2-ol (CID 13299823) is 5,5,5-trifluoro-4-methylpentan-2-ol.
What is the SMILES notation for 5,5,5-trifluoro-4-methylpentan-2-ol?
The canonical SMILES for 5,5,5-trifluoro-4-methylpentan-2-ol is CC(O)CC(C)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-4-methylpentan-2-ol?
The InChIKey is MRYQZGSLWFAXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O/c1-4(3-5(2)10)6(7,8)9/h4-5,10H,3H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-4-methylpentan-2-ol?
5,5,5-trifluoro-4-methylpentan-2-ol has a molecular weight of 156.15 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-4-methylpentan-2-ol is sourced from PubChem (CID 13299823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).