1,1,1-trifluoro-3-(propylamino)propan-2-ol

C6H12F3NO — CID 63902089

IUPAC1,1,1-trifluoro-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-2-3-10-4-5(11)6(7,8)9/h5,10-11H,2-4H2,1H3
InChIKeyQODVVAFHDZEWTH-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.91
Rot. Bonds4

About 1,1,1-trifluoro-3-(propylamino)propan-2-ol

1,1,1-trifluoro-3-(propylamino)propan-2-ol (PubChem CID 63902089) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(propylamino)propan-2-ol
PubChem CID63902089
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name1,1,1-trifluoro-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-2-3-10-4-5(11)6(7,8)9/h5,10-11H,2-4H2,1H3
InChIKeyQODVVAFHDZEWTH-UHFFFAOYSA-N
XLogP0.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

Diisopropanolamine
CID 8086
1-((2-Hydroxyethyl)amino)propan-2-ol
CID 98177
1,1,1-Trifluoro-3-[(3-methoxypropyl)amino]propan-2-ol
CID 2768007
1-(Methylamino)propan-2-ol
CID 86049
1-[(Propan-2-yl)amino]propan-2-ol
CID 276926
1-(Ethylamino)propan-2-ol
CID 3016164
2-Propanol, 1,1'-iminobis-, hydrofluoride (1:1)
CID 88052572
2-((2,2-Difluoropropyl)amino)ethanol
CID 2758357
(2R)-1-(methylamino)propan-2-ol
CID 12572574
2-[(2,2,2-Trifluoroethyl)amino]ethan-1-ol
CID 14513794
1-(Ethylamino)butan-2-ol
CID 19804546
1,1,1-Trifluoro-3-(methylamino)propan-2-ol
CID 22367232

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(propylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(propylamino)propan-2-ol (CID 63902089) is 1,1,1-trifluoro-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(propylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(propylamino)propan-2-ol is CCCNCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(propylamino)propan-2-ol?
The InChIKey is QODVVAFHDZEWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-2-3-10-4-5(11)6(7,8)9/h5,10-11H,2-4H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(propylamino)propan-2-ol?
1,1,1-trifluoro-3-(propylamino)propan-2-ol has a molecular weight of 171.16 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(propylamino)propan-2-ol is sourced from PubChem (CID 63902089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).