3-(2,2,2-trifluoroethylamino)propan-1-ol

C5H10F3NO — CID 43393584

IUPAC3-(2,2,2-trifluoroethylamino)propan-1-ol
SMILESOCCCNCC(F)(F)F
InChIInChI=1S/C5H10F3NO/c6-5(7,8)4-9-2-1-3-10/h9-10H,1-4H2
InChIKeyABNOVCYQWFZTPI-UHFFFAOYSA-N
MW157.13 g/mol
LogP0.52
Rot. Bonds4

About 3-(2,2,2-trifluoroethylamino)propan-1-ol

3-(2,2,2-trifluoroethylamino)propan-1-ol (PubChem CID 43393584) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylamino)propan-1-ol
PubChem CID43393584
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name3-(2,2,2-trifluoroethylamino)propan-1-ol
SMILESOCCCNCC(F)(F)F
InChIInChI=1S/C5H10F3NO/c6-5(7,8)4-9-2-1-3-10/h9-10H,1-4H2
InChIKeyABNOVCYQWFZTPI-UHFFFAOYSA-N
XLogP0.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.52
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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Related Compounds

3-(Ethylamino)propanol
CID 10176104
1-Propanol, 3-(propylamino)-
CID 186621
Dipropanolamine
CID 106986
2-((2,2-Difluoropropyl)amino)ethanol
CID 2758357
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
4-(2-Fluoroethylamino)butan-2-ol
CID 80697261

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylamino)propan-1-ol?
The IUPAC name of 3-(2,2,2-trifluoroethylamino)propan-1-ol (CID 43393584) is 3-(2,2,2-trifluoroethylamino)propan-1-ol.
What is the SMILES notation for 3-(2,2,2-trifluoroethylamino)propan-1-ol?
The canonical SMILES for 3-(2,2,2-trifluoroethylamino)propan-1-ol is OCCCNCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethylamino)propan-1-ol?
The InChIKey is ABNOVCYQWFZTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c6-5(7,8)4-9-2-1-3-10/h9-10H,1-4H2.
What are the key properties of 3-(2,2,2-trifluoroethylamino)propan-1-ol?
3-(2,2,2-trifluoroethylamino)propan-1-ol has a molecular weight of 157.13 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethylamino)propan-1-ol is sourced from PubChem (CID 43393584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).