1-amino-4,4,4-trifluorobutan-1-ol

C4H8F3NO — CID 123287462

IUPAC1-amino-4,4,4-trifluorobutan-1-ol
SMILESNC(O)CCC(F)(F)F
InChIInChI=1S/C4H8F3NO/c5-4(6,7)2-1-3(8)9/h3,9H,1-2,8H2
InChIKeyFYHIRXLTHWASHO-UHFFFAOYSA-N
MW143.11 g/mol
LogP0.61
Rot. Bonds2

About 1-amino-4,4,4-trifluorobutan-1-ol

1-amino-4,4,4-trifluorobutan-1-ol (PubChem CID 123287462) has the molecular formula C4H8F3NO and a molecular weight of 143.11 g/mol. Its IUPAC name is 1-amino-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name1-amino-4,4,4-trifluorobutan-1-ol
PubChem CID123287462
Molecular FormulaC4H8F3NO
Molecular Weight143.11 g/mol
Exact Mass143.06
IUPAC Name1-amino-4,4,4-trifluorobutan-1-ol
SMILESNC(O)CCC(F)(F)F
InChIInChI=1S/C4H8F3NO/c5-4(6,7)2-1-3(8)9/h3,9H,1-2,8H2
InChIKeyFYHIRXLTHWASHO-UHFFFAOYSA-N
XLogP0.61
TPSA46.25 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 ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 1-amino-4,4,4-trifluorobutan-1-ol (CID 123287462) is 1-amino-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 1-amino-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 1-amino-4,4,4-trifluorobutan-1-ol is NC(O)CCC(F)(F)F.
What is the InChIKey of 1-amino-4,4,4-trifluorobutan-1-ol?
The InChIKey is FYHIRXLTHWASHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO/c5-4(6,7)2-1-3(8)9/h3,9H,1-2,8H2.
What are the key properties of 1-amino-4,4,4-trifluorobutan-1-ol?
1-amino-4,4,4-trifluorobutan-1-ol has a molecular weight of 143.11 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 123287462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).