3-amino-1,1,1-trifluoro-2-[(1-propylimidazol-2-yl)methyl]butan-2-ol

C11H18F3N3O — CID 79738150

IUPAC3-amino-1,1,1-trifluoro-2-[(1-propylimidazol-2-yl)methyl]butan-2-ol
SMILESCCCn1ccnc1CC(O)(C(C)N)C(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-3-5-17-6-4-16-9(17)7-10(18,8(2)15)11(12,13)14/h4,6,8,18H,3,5,7,15H2,1-2H3
InChIKeyWFSNWWSUVFSSLL-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.48
Rot. Bonds5

About 3-amino-1,1,1-trifluoro-2-[(1-propylimidazol-2-yl)methyl]butan-2-ol

3-amino-1,1,1-trifluoro-2-[(1-propylimidazol-2-yl)methyl]butan-2-ol (PubChem CID 79738150) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-[(1-propylimidazol-2-yl)methyl]butan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-[(1-propylimidazol-2-yl)methyl]butan-2-ol
PubChem CID79738150
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name3-amino-1,1,1-trifluoro-2-[(1-propylimidazol-2-yl)methyl]butan-2-ol
SMILESCCCn1ccnc1CC(O)(C(C)N)C(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-3-5-17-6-4-16-9(17)7-10(18,8(2)15)11(12,13)14/h4,6,8,18H,3,5,7,15H2,1-2H3
InChIKeyWFSNWWSUVFSSLL-UHFFFAOYSA-N
XLogP1.48
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-3-methyl-2-[(1-propylimidazol-2-yl)methyl]butan-1-amine
CID 112566789
6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol
CID 116535799
1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79744860
2-(4-bromo-2,2-dimethylpentyl)-1-propylimidazole
CID 79762064
2-phenyl-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744122
3-amino-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116584036
3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol
CID 114228321
2-[(1-propan-2-ylimidazol-2-yl)methyl]-2-[(1-propylimidazol-2-yl)methyl]propane-1,3-diol
CID 101390379
4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116612267
2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79760722
1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012197
2-(3,4-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744402

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-[(1-propylimidazol-2-yl)methyl]butan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-[(1-propylimidazol-2-yl)methyl]butan-2-ol (CID 79738150) is 3-amino-1,1,1-trifluoro-2-[(1-propylimidazol-2-yl)methyl]butan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-[(1-propylimidazol-2-yl)methyl]butan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-[(1-propylimidazol-2-yl)methyl]butan-2-ol is CCCn1ccnc1CC(O)(C(C)N)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-[(1-propylimidazol-2-yl)methyl]butan-2-ol?
The InChIKey is WFSNWWSUVFSSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-3-5-17-6-4-16-9(17)7-10(18,8(2)15)11(12,13)14/h4,6,8,18H,3,5,7,15H2,1-2H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-[(1-propylimidazol-2-yl)methyl]butan-2-ol?
3-amino-1,1,1-trifluoro-2-[(1-propylimidazol-2-yl)methyl]butan-2-ol has a molecular weight of 265.28 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-[(1-propylimidazol-2-yl)methyl]butan-2-ol is sourced from PubChem (CID 79738150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).