2,2-difluoro-3-[1-(1-methylimidazol-2-yl)ethylamino]propan-1-ol

C9H15F2N3O — CID 104860530

IUPAC2,2-difluoro-3-[1-(1-methylimidazol-2-yl)ethylamino]propan-1-ol
SMILESCC(NCC(F)(F)CO)c1nccn1C
InChIInChI=1S/C9H15F2N3O/c1-7(8-12-3-4-14(8)2)13-5-9(10,11)6-15/h3-4,7,13,15H,5-6H2,1-2H3
InChIKeyUMHQQIPDHCRQFE-UHFFFAOYSA-N
MW219.23 g/mol
LogP0.70
Rot. Bonds5

About 2,2-difluoro-3-[1-(1-methylimidazol-2-yl)ethylamino]propan-1-ol

2,2-difluoro-3-[1-(1-methylimidazol-2-yl)ethylamino]propan-1-ol (PubChem CID 104860530) has the molecular formula C9H15F2N3O and a molecular weight of 219.23 g/mol. Its IUPAC name is 2,2-difluoro-3-[1-(1-methylimidazol-2-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[1-(1-methylimidazol-2-yl)ethylamino]propan-1-ol
PubChem CID104860530
Molecular FormulaC9H15F2N3O
Molecular Weight219.23 g/mol
Exact Mass219.12
IUPAC Name2,2-difluoro-3-[1-(1-methylimidazol-2-yl)ethylamino]propan-1-ol
SMILESCC(NCC(F)(F)CO)c1nccn1C
InChIInChI=1S/C9H15F2N3O/c1-7(8-12-3-4-14(8)2)13-5-9(10,11)6-15/h3-4,7,13,15H,5-6H2,1-2H3
InChIKeyUMHQQIPDHCRQFE-UHFFFAOYSA-N
XLogP0.70
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[1-(1-methylimidazol-2-yl)ethylamino]propane-1,2-diol
CID 66169614
2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol
CID 65104045
3,3-dimethyl-4-[1-(1-methylimidazol-2-yl)ethylamino]butan-1-ol
CID 115901187
4,4,4-trifluoro-N-[1-(1-methylimidazol-2-yl)ethyl]butan-1-amine
CID 115516455
4,4-dimethyl-1-[1-(1-methylimidazol-2-yl)ethylamino]pentan-2-ol
CID 103913976
2,2-difluoro-3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 104860444
2,2-difluoro-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 104860632
N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 103913887
tert-butyl N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate
CID 103913862
5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide
CID 106234642
2-methyl-3-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol
CID 107270667
imino-bis(trifluoromethyl)-λ4-sulfane;1-(1-methylimidazol-2-yl)ethanol
CID 159584729

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[1-(1-methylimidazol-2-yl)ethylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[1-(1-methylimidazol-2-yl)ethylamino]propan-1-ol (CID 104860530) is 2,2-difluoro-3-[1-(1-methylimidazol-2-yl)ethylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[1-(1-methylimidazol-2-yl)ethylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[1-(1-methylimidazol-2-yl)ethylamino]propan-1-ol is CC(NCC(F)(F)CO)c1nccn1C.
What is the InChIKey of 2,2-difluoro-3-[1-(1-methylimidazol-2-yl)ethylamino]propan-1-ol?
The InChIKey is UMHQQIPDHCRQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O/c1-7(8-12-3-4-14(8)2)13-5-9(10,11)6-15/h3-4,7,13,15H,5-6H2,1-2H3.
What are the key properties of 2,2-difluoro-3-[1-(1-methylimidazol-2-yl)ethylamino]propan-1-ol?
2,2-difluoro-3-[1-(1-methylimidazol-2-yl)ethylamino]propan-1-ol has a molecular weight of 219.23 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[1-(1-methylimidazol-2-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 104860530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).