3-(3,3,3-trifluoropropylamino)propan-1-ol

C6H12F3NO — CID 60684384

IUPAC3-(3,3,3-trifluoropropylamino)propan-1-ol
SMILESOCCCNCCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c7-6(8,9)2-4-10-3-1-5-11/h10-11H,1-5H2
InChIKeyXWRDKZSOWJSSIL-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.91
Rot. Bonds5

About 3-(3,3,3-trifluoropropylamino)propan-1-ol

3-(3,3,3-trifluoropropylamino)propan-1-ol (PubChem CID 60684384) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropylamino)propan-1-ol.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropylamino)propan-1-ol
PubChem CID60684384
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name3-(3,3,3-trifluoropropylamino)propan-1-ol
SMILESOCCCNCCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c7-6(8,9)2-4-10-3-1-5-11/h10-11H,1-5H2
InChIKeyXWRDKZSOWJSSIL-UHFFFAOYSA-N
XLogP0.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropylamino)propan-1-ol?
The IUPAC name of 3-(3,3,3-trifluoropropylamino)propan-1-ol (CID 60684384) is 3-(3,3,3-trifluoropropylamino)propan-1-ol.
What is the SMILES notation for 3-(3,3,3-trifluoropropylamino)propan-1-ol?
The canonical SMILES for 3-(3,3,3-trifluoropropylamino)propan-1-ol is OCCCNCCC(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoropropylamino)propan-1-ol?
The InChIKey is XWRDKZSOWJSSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c7-6(8,9)2-4-10-3-1-5-11/h10-11H,1-5H2.
What are the key properties of 3-(3,3,3-trifluoropropylamino)propan-1-ol?
3-(3,3,3-trifluoropropylamino)propan-1-ol has a molecular weight of 171.16 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropylamino)propan-1-ol is sourced from PubChem (CID 60684384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).