2-methyl-2-[(trifluoromethylamino)methyl]propane-1,3-diol

C6H12F3NO2 — CID 170288661

IUPAC2-methyl-2-[(trifluoromethylamino)methyl]propane-1,3-diol
SMILESCC(CO)(CO)CNC(F)(F)F
InChIInChI=1S/C6H12F3NO2/c1-5(3-11,4-12)2-10-6(7,8)9/h10-12H,2-4H2,1H3
InChIKeyMGMCSFVXYBNUKA-UHFFFAOYSA-N
MW187.16 g/mol
LogP0.09
Rot. Bonds4

About 2-methyl-2-[(trifluoromethylamino)methyl]propane-1,3-diol

2-methyl-2-[(trifluoromethylamino)methyl]propane-1,3-diol (PubChem CID 170288661) has the molecular formula C6H12F3NO2 and a molecular weight of 187.16 g/mol. Its IUPAC name is 2-methyl-2-[(trifluoromethylamino)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-[(trifluoromethylamino)methyl]propane-1,3-diol
PubChem CID170288661
Molecular FormulaC6H12F3NO2
Molecular Weight187.16 g/mol
Exact Mass187.08
IUPAC Name2-methyl-2-[(trifluoromethylamino)methyl]propane-1,3-diol
SMILESCC(CO)(CO)CNC(F)(F)F
InChIInChI=1S/C6H12F3NO2/c1-5(3-11,4-12)2-10-6(7,8)9/h10-12H,2-4H2,1H3
InChIKeyMGMCSFVXYBNUKA-UHFFFAOYSA-N
XLogP0.09
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-2-[(trifluoromethylamino)methyl]propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-2-[(methylamino)methyl]propane-1,3-diol
CID 15348371
2,2-Difluoro-3-(methylamino)propan-1-ol
CID 55299587
3-(Difluoromethylamino)propan-1-ol
CID 87321894
3-(Trifluoromethylamino)propan-1-ol
CID 87322555
3-(2,2-Difluoropropylamino)propan-1-ol
CID 131078573
2-Fluoro-2-methyl-3-(methylamino)propan-1-ol
CID 156187848
2-Fluoro-2-(methylaminomethyl)propane-1,3-diol
CID 174206195
2-Methyl-3-(2,2,2-trifluoroethylamino)propan-1-ol
CID 65035739
2-Methyl-3-(3,3,3-trifluoropropylamino)propan-1-ol
CID 65035980
3-(2,2-Difluoroethylamino)-2-methylpropan-1-ol
CID 65036331
2,2-Dimethyl-3-(3,3,3-trifluoropropylamino)propan-1-ol
CID 81410950
2,2-Dimethyl-3-(2,2,2-trifluoroethylamino)propan-1-ol
CID 81414497

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(trifluoromethylamino)methyl]propane-1,3-diol?
The IUPAC name of 2-methyl-2-[(trifluoromethylamino)methyl]propane-1,3-diol (CID 170288661) is 2-methyl-2-[(trifluoromethylamino)methyl]propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-[(trifluoromethylamino)methyl]propane-1,3-diol?
The canonical SMILES for 2-methyl-2-[(trifluoromethylamino)methyl]propane-1,3-diol is CC(CO)(CO)CNC(F)(F)F.
What is the InChIKey of 2-methyl-2-[(trifluoromethylamino)methyl]propane-1,3-diol?
The InChIKey is MGMCSFVXYBNUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO2/c1-5(3-11,4-12)2-10-6(7,8)9/h10-12H,2-4H2,1H3.
What are the key properties of 2-methyl-2-[(trifluoromethylamino)methyl]propane-1,3-diol?
2-methyl-2-[(trifluoromethylamino)methyl]propane-1,3-diol has a molecular weight of 187.16 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(trifluoromethylamino)methyl]propane-1,3-diol is sourced from PubChem (CID 170288661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).