3-[methyl(trifluoromethyl)amino]propan-1-ol

C5H10F3NO — CID 58019352

IUPAC3-[methyl(trifluoromethyl)amino]propan-1-ol
SMILESCN(CCCO)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-9(3-2-4-10)5(6,7)8/h10H,2-4H2,1H3
InChIKeyLSEGLGJTVXQOLT-UHFFFAOYSA-N
MW157.13 g/mol
LogP0.82
Rot. Bonds3

About 3-[methyl(trifluoromethyl)amino]propan-1-ol

3-[methyl(trifluoromethyl)amino]propan-1-ol (PubChem CID 58019352) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 3-[methyl(trifluoromethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[methyl(trifluoromethyl)amino]propan-1-ol
PubChem CID58019352
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name3-[methyl(trifluoromethyl)amino]propan-1-ol
SMILESCN(CCCO)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-9(3-2-4-10)5(6,7)8/h10H,2-4H2,1H3
InChIKeyLSEGLGJTVXQOLT-UHFFFAOYSA-N
XLogP0.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.82
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 3-[methyl(trifluoromethyl)amino]propan-1-ol?
The IUPAC name of 3-[methyl(trifluoromethyl)amino]propan-1-ol (CID 58019352) is 3-[methyl(trifluoromethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[methyl(trifluoromethyl)amino]propan-1-ol?
The canonical SMILES for 3-[methyl(trifluoromethyl)amino]propan-1-ol is CN(CCCO)C(F)(F)F.
What is the InChIKey of 3-[methyl(trifluoromethyl)amino]propan-1-ol?
The InChIKey is LSEGLGJTVXQOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-9(3-2-4-10)5(6,7)8/h10H,2-4H2,1H3.
What are the key properties of 3-[methyl(trifluoromethyl)amino]propan-1-ol?
3-[methyl(trifluoromethyl)amino]propan-1-ol has a molecular weight of 157.13 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(trifluoromethyl)amino]propan-1-ol is sourced from PubChem (CID 58019352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).