2-(trifluoromethylamino)butan-1-ol

C5H10F3NO — CID 141168185

IUPAC2-(trifluoromethylamino)butan-1-ol
SMILESCCC(CO)NC(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-2-4(3-10)9-5(6,7)8/h4,9-10H,2-3H2,1H3
InChIKeyYRQYLEVLQPCTKC-UHFFFAOYSA-N
MW157.13 g/mol
LogP0.87
Rot. Bonds3

About 2-(trifluoromethylamino)butan-1-ol

2-(trifluoromethylamino)butan-1-ol (PubChem CID 141168185) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 2-(trifluoromethylamino)butan-1-ol.

Molecular Properties

Compound Name2-(trifluoromethylamino)butan-1-ol
PubChem CID141168185
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name2-(trifluoromethylamino)butan-1-ol
SMILESCCC(CO)NC(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-2-4(3-10)9-5(6,7)8/h4,9-10H,2-3H2,1H3
InChIKeyYRQYLEVLQPCTKC-UHFFFAOYSA-N
XLogP0.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.87
H-Bond Donors ≤ 52
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 2-(trifluoromethylamino)butan-1-ol?
The IUPAC name of 2-(trifluoromethylamino)butan-1-ol (CID 141168185) is 2-(trifluoromethylamino)butan-1-ol.
What is the SMILES notation for 2-(trifluoromethylamino)butan-1-ol?
The canonical SMILES for 2-(trifluoromethylamino)butan-1-ol is CCC(CO)NC(F)(F)F.
What is the InChIKey of 2-(trifluoromethylamino)butan-1-ol?
The InChIKey is YRQYLEVLQPCTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-2-4(3-10)9-5(6,7)8/h4,9-10H,2-3H2,1H3.
What are the key properties of 2-(trifluoromethylamino)butan-1-ol?
2-(trifluoromethylamino)butan-1-ol has a molecular weight of 157.13 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylamino)butan-1-ol is sourced from PubChem (CID 141168185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).