2-[[amino(methyl)amino]methyl]-3,3,3-trifluoropropan-1-ol

C5H11F3N2O — CID 105435035

IUPAC2-[[amino(methyl)amino]methyl]-3,3,3-trifluoropropan-1-ol
SMILESCN(N)CC(CO)C(F)(F)F
InChIInChI=1S/C5H11F3N2O/c1-10(9)2-4(3-11)5(6,7)8/h4,11H,2-3,9H2,1H3
InChIKeyHPKMPJRFGLOQDX-UHFFFAOYSA-N
MW172.15 g/mol
LogP-0.04
Rot. Bonds3

About 2-[[amino(methyl)amino]methyl]-3,3,3-trifluoropropan-1-ol

2-[[amino(methyl)amino]methyl]-3,3,3-trifluoropropan-1-ol (PubChem CID 105435035) has the molecular formula C5H11F3N2O and a molecular weight of 172.15 g/mol. Its IUPAC name is 2-[[amino(methyl)amino]methyl]-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name2-[[amino(methyl)amino]methyl]-3,3,3-trifluoropropan-1-ol
PubChem CID105435035
Molecular FormulaC5H11F3N2O
Molecular Weight172.15 g/mol
Exact Mass172.08
IUPAC Name2-[[amino(methyl)amino]methyl]-3,3,3-trifluoropropan-1-ol
SMILESCN(N)CC(CO)C(F)(F)F
InChIInChI=1S/C5H11F3N2O/c1-10(9)2-4(3-11)5(6,7)8/h4,11H,2-3,9H2,1H3
InChIKeyHPKMPJRFGLOQDX-UHFFFAOYSA-N
XLogP-0.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[Amino(methyl)amino]-2-methylpropan-1-ol
CID 105427148

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(methyl)amino]methyl]-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 2-[[amino(methyl)amino]methyl]-3,3,3-trifluoropropan-1-ol (CID 105435035) is 2-[[amino(methyl)amino]methyl]-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 2-[[amino(methyl)amino]methyl]-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 2-[[amino(methyl)amino]methyl]-3,3,3-trifluoropropan-1-ol is CN(N)CC(CO)C(F)(F)F.
What is the InChIKey of 2-[[amino(methyl)amino]methyl]-3,3,3-trifluoropropan-1-ol?
The InChIKey is HPKMPJRFGLOQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O/c1-10(9)2-4(3-11)5(6,7)8/h4,11H,2-3,9H2,1H3.
What are the key properties of 2-[[amino(methyl)amino]methyl]-3,3,3-trifluoropropan-1-ol?
2-[[amino(methyl)amino]methyl]-3,3,3-trifluoropropan-1-ol has a molecular weight of 172.15 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(methyl)amino]methyl]-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 105435035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).