3-(Trifluoromethylamino)propan-1-ol

C4H8F3NO — CID 87322555

IUPAC3-(trifluoromethylamino)propan-1-ol
SMILESC(CNC(F)(F)F)CO
InChIInChI=1S/C4H8F3NO/c5-4(6,7)8-2-1-3-9/h8-9H,1-3H2
InChIKeyUCQXGPKAQZQIFN-UHFFFAOYSA-N
MW143.11 g/mol
LogP0.70
Rot. Bonds3

About 3-(Trifluoromethylamino)propan-1-ol

3-(Trifluoromethylamino)propan-1-ol (PubChem CID 87322555) has the molecular formula C4H8F3NO and a molecular weight of 143.11 g/mol. Its IUPAC name is 3-(trifluoromethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(Trifluoromethylamino)propan-1-ol
PubChem CID87322555
Molecular FormulaC4H8F3NO
Molecular Weight143.11 g/mol
Exact Mass143.06
IUPAC Name3-(trifluoromethylamino)propan-1-ol
SMILESC(CNC(F)(F)F)CO
InChIInChI=1S/C4H8F3NO/c5-4(6,7)8-2-1-3-9/h8-9H,1-3H2
InChIKeyUCQXGPKAQZQIFN-UHFFFAOYSA-N
XLogP0.70
TPSA32.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity72

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.11
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(Methylamino)-1-propanol
CID 10148986
3-((2,2,2-Trifluoroethyl)amino)propan-1-ol
CID 43393584
2,2-Difluoro-3-(methylamino)propan-1-ol
CID 55299587
4,4-Difluoro-3-(methylamino)butan-1-ol hydrochloride
CID 145913414
1,1,1-Trifluoro-4-methylamino-2-butanol
CID 21928328
2-Fluoro-3-(methylamino)propan-1-ol
CID 55299470
2-((3,3,3-Trifluoropropyl)amino)ethanol
CID 60684367
4-(3,3,3-Trifluoropropylamino)butan-1-ol
CID 63226132
1,1,1-Trifluoro-3-[(3-hydroxypropyl)amino]propan-2-ol
CID 63901682
3-(2,2-Difluoroethylamino)butan-1-ol
CID 83176464
4,4,4-Trifluoro-3-(methylamino)butan-1-ol
CID 83815517
3-(Ethylamino)-4,4,4-trifluorobutan-1-ol
CID 83816247

Frequently Asked Questions

What is the IUPAC name of 3-(Trifluoromethylamino)propan-1-ol?
The IUPAC name of 3-(Trifluoromethylamino)propan-1-ol (CID 87322555) is 3-(trifluoromethylamino)propan-1-ol.
What is the SMILES notation for 3-(Trifluoromethylamino)propan-1-ol?
The canonical SMILES for 3-(Trifluoromethylamino)propan-1-ol is C(CNC(F)(F)F)CO.
What is the InChIKey of 3-(Trifluoromethylamino)propan-1-ol?
The InChIKey is UCQXGPKAQZQIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO/c5-4(6,7)8-2-1-3-9/h8-9H,1-3H2.
What are the key properties of 3-(Trifluoromethylamino)propan-1-ol?
3-(Trifluoromethylamino)propan-1-ol has a molecular weight of 143.11 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(Trifluoromethylamino)propan-1-ol is sourced from PubChem (CID 87322555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).