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

C6H12F3NO2 — CID 63901682

IUPAC1,1,1-trifluoro-3-(3-hydroxypropylamino)propan-2-ol
SMILESOCCCNCC(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO2/c7-6(8,9)5(12)4-10-2-1-3-11/h5,10-12H,1-4H2
InChIKeyUVOUGIKGYCCJKR-UHFFFAOYSA-N
MW187.16 g/mol
LogP-0.12
Rot. Bonds5

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

1,1,1-trifluoro-3-(3-hydroxypropylamino)propan-2-ol (PubChem CID 63901682) has the molecular formula C6H12F3NO2 and a molecular weight of 187.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(3-hydroxypropylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(3-hydroxypropylamino)propan-2-ol
PubChem CID63901682
Molecular FormulaC6H12F3NO2
Molecular Weight187.16 g/mol
Exact Mass187.08
IUPAC Name1,1,1-trifluoro-3-(3-hydroxypropylamino)propan-2-ol
SMILESOCCCNCC(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO2/c7-6(8,9)5(12)4-10-2-1-3-11/h5,10-12H,1-4H2
InChIKeyUVOUGIKGYCCJKR-UHFFFAOYSA-N
XLogP-0.12
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-((2-Hydroxyethyl)amino)propanol
CID 3015059
1,1,1-Trifluoro-3-[(3-methoxypropyl)amino]propan-2-ol
CID 2768007
3-((2,2,2-Trifluoroethyl)amino)propan-1-ol
CID 43393584
2-((2,2-Difluoropropyl)amino)ethanol
CID 2758357
3-[(2-Hydroxyethyl)amino]propane-1,2-diol
CID 15034945
1,1,1-Trifluoro-3-(methylamino)propan-2-ol
CID 22367232
4,4,4-Trifluoro-1-(methylamino)butan-2-ol
CID 57512865
1-(Ethylamino)-3-fluoropropan-2-ol
CID 59154890
3-(Ethylamino)-1,1,1-trifluoropropan-2-ol
CID 63900017
4,4-Difluoropyrrolidin-3-ol hydrochloride
CID 89539070
4,4-Difluoropyrrolidin-3-ol
CID 89539071
(2S)-3-[(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 63226873

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(3-hydroxypropylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(3-hydroxypropylamino)propan-2-ol (CID 63901682) is 1,1,1-trifluoro-3-(3-hydroxypropylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(3-hydroxypropylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(3-hydroxypropylamino)propan-2-ol is OCCCNCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(3-hydroxypropylamino)propan-2-ol?
The InChIKey is UVOUGIKGYCCJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO2/c7-6(8,9)5(12)4-10-2-1-3-11/h5,10-12H,1-4H2.
What are the key properties of 1,1,1-trifluoro-3-(3-hydroxypropylamino)propan-2-ol?
1,1,1-trifluoro-3-(3-hydroxypropylamino)propan-2-ol has a molecular weight of 187.16 g/mol, XLogP of -0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(3-hydroxypropylamino)propan-2-ol is sourced from PubChem (CID 63901682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).