1-(trifluoromethylamino)propan-1-ol

C4H8F3NO — CID 173056233

IUPAC1-(trifluoromethylamino)propan-1-ol
SMILESCCC(O)NC(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-2-3(9)8-4(5,6)7/h3,8-9H,2H2,1H3
InChIKeyTZALXDJVAUFFEO-UHFFFAOYSA-N
MW143.11 g/mol
LogP0.82
Rot. Bonds2

About 1-(trifluoromethylamino)propan-1-ol

1-(trifluoromethylamino)propan-1-ol (PubChem CID 173056233) has the molecular formula C4H8F3NO and a molecular weight of 143.11 g/mol. Its IUPAC name is 1-(trifluoromethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(trifluoromethylamino)propan-1-ol
PubChem CID173056233
Molecular FormulaC4H8F3NO
Molecular Weight143.11 g/mol
Exact Mass143.06
IUPAC Name1-(trifluoromethylamino)propan-1-ol
SMILESCCC(O)NC(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-2-3(9)8-4(5,6)7/h3,8-9H,2H2,1H3
InChIKeyTZALXDJVAUFFEO-UHFFFAOYSA-N
XLogP0.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.11
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylamino)propan-1-ol?
The IUPAC name of 1-(trifluoromethylamino)propan-1-ol (CID 173056233) is 1-(trifluoromethylamino)propan-1-ol.
What is the SMILES notation for 1-(trifluoromethylamino)propan-1-ol?
The canonical SMILES for 1-(trifluoromethylamino)propan-1-ol is CCC(O)NC(F)(F)F.
What is the InChIKey of 1-(trifluoromethylamino)propan-1-ol?
The InChIKey is TZALXDJVAUFFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO/c1-2-3(9)8-4(5,6)7/h3,8-9H,2H2,1H3.
What are the key properties of 1-(trifluoromethylamino)propan-1-ol?
1-(trifluoromethylamino)propan-1-ol has a molecular weight of 143.11 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylamino)propan-1-ol is sourced from PubChem (CID 173056233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).