4-[methyl(trifluoromethyl)amino]pentan-2-ol

C7H14F3NO — CID 140780839

IUPAC4-[methyl(trifluoromethyl)amino]pentan-2-ol
SMILESCC(O)CC(C)N(C)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-5(4-6(2)12)11(3)7(8,9)10/h5-6,12H,4H2,1-3H3
InChIKeyGKWVFMRMXXLAHQ-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.60
Rot. Bonds3

About 4-[methyl(trifluoromethyl)amino]pentan-2-ol

4-[methyl(trifluoromethyl)amino]pentan-2-ol (PubChem CID 140780839) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 4-[methyl(trifluoromethyl)amino]pentan-2-ol.

Molecular Properties

Compound Name4-[methyl(trifluoromethyl)amino]pentan-2-ol
PubChem CID140780839
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name4-[methyl(trifluoromethyl)amino]pentan-2-ol
SMILESCC(O)CC(C)N(C)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-5(4-6(2)12)11(3)7(8,9)10/h5-6,12H,4H2,1-3H3
InChIKeyGKWVFMRMXXLAHQ-UHFFFAOYSA-N
XLogP1.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(trifluoromethyl)amino]pentan-2-ol?
The IUPAC name of 4-[methyl(trifluoromethyl)amino]pentan-2-ol (CID 140780839) is 4-[methyl(trifluoromethyl)amino]pentan-2-ol.
What is the SMILES notation for 4-[methyl(trifluoromethyl)amino]pentan-2-ol?
The canonical SMILES for 4-[methyl(trifluoromethyl)amino]pentan-2-ol is CC(O)CC(C)N(C)C(F)(F)F.
What is the InChIKey of 4-[methyl(trifluoromethyl)amino]pentan-2-ol?
The InChIKey is GKWVFMRMXXLAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-5(4-6(2)12)11(3)7(8,9)10/h5-6,12H,4H2,1-3H3.
What are the key properties of 4-[methyl(trifluoromethyl)amino]pentan-2-ol?
4-[methyl(trifluoromethyl)amino]pentan-2-ol has a molecular weight of 185.19 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(trifluoromethyl)amino]pentan-2-ol is sourced from PubChem (CID 140780839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).