1-(difluoromethylamino)propan-1-ol

C4H9F2NO — CID 173056119

IUPAC1-(difluoromethylamino)propan-1-ol
SMILESCCC(O)NC(F)F
InChIInChI=1S/C4H9F2NO/c1-2-3(8)7-4(5)6/h3-4,7-8H,2H2,1H3
InChIKeyLOKGEIJUTKDPRL-UHFFFAOYSA-N
MW125.12 g/mol
LogP0.53
Rot. Bonds3

About 1-(difluoromethylamino)propan-1-ol

1-(difluoromethylamino)propan-1-ol (PubChem CID 173056119) has the molecular formula C4H9F2NO and a molecular weight of 125.12 g/mol. Its IUPAC name is 1-(difluoromethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(difluoromethylamino)propan-1-ol
PubChem CID173056119
Molecular FormulaC4H9F2NO
Molecular Weight125.12 g/mol
Exact Mass125.07
IUPAC Name1-(difluoromethylamino)propan-1-ol
SMILESCCC(O)NC(F)F
InChIInChI=1S/C4H9F2NO/c1-2-3(8)7-4(5)6/h3-4,7-8H,2H2,1H3
InChIKeyLOKGEIJUTKDPRL-UHFFFAOYSA-N
XLogP0.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.12
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-((2,2,2-Trifluoroethyl)amino)propan-1-ol
CID 43393584
2-((2,2-Difluoropropyl)amino)ethanol
CID 2758357
1,1,1-Trifluoro-3-(methylamino)propan-2-ol
CID 22367232
2,2-Difluoro-3-(methylamino)propan-1-ol
CID 55299587
4,4,4-Trifluoro-1-(methylamino)butan-2-ol
CID 57512865
4,4-Difluoro-3-(methylamino)butan-1-ol hydrochloride
CID 145913414
Ethylamino propanol
CID 17998706
Methylaminopropanol
CID 18461939
1,1,1-Trifluoro-4-methylamino-2-butanol
CID 21928328
2-Fluoro-3-(methylamino)propan-1-ol
CID 55299470
(2S)-1,1,1-trifluoro-3-(methylamino)propan-2-ol
CID 58168849
4-(3,3,3-Trifluoropropylamino)butan-1-ol
CID 63226132

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylamino)propan-1-ol?
The IUPAC name of 1-(difluoromethylamino)propan-1-ol (CID 173056119) is 1-(difluoromethylamino)propan-1-ol.
What is the SMILES notation for 1-(difluoromethylamino)propan-1-ol?
The canonical SMILES for 1-(difluoromethylamino)propan-1-ol is CCC(O)NC(F)F.
What is the InChIKey of 1-(difluoromethylamino)propan-1-ol?
The InChIKey is LOKGEIJUTKDPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO/c1-2-3(8)7-4(5)6/h3-4,7-8H,2H2,1H3.
What are the key properties of 1-(difluoromethylamino)propan-1-ol?
1-(difluoromethylamino)propan-1-ol has a molecular weight of 125.12 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylamino)propan-1-ol is sourced from PubChem (CID 173056119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).