(1R)-3,3,3-trifluoro-1-(1-methylimidazol-4-yl)propan-1-amine

C7H10F3N3 — CID 130598930

IUPAC(1R)-3,3,3-trifluoro-1-(1-methylimidazol-4-yl)propan-1-amine
SMILESCn1cnc([C@H](N)CC(F)(F)F)c1
InChIInChI=1S/C7H10F3N3/c1-13-3-6(12-4-13)5(11)2-7(8,9)10/h3-5H,2,11H2,1H3/t5-/m1/s1
InChIKeyFUHPRZKGSOIZIT-RXMQYKEDSA-N
MW193.17 g/mol
LogP1.37
Rot. Bonds2

About (1R)-3,3,3-trifluoro-1-(1-methylimidazol-4-yl)propan-1-amine

(1R)-3,3,3-trifluoro-1-(1-methylimidazol-4-yl)propan-1-amine (PubChem CID 130598930) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is (1R)-3,3,3-trifluoro-1-(1-methylimidazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-3,3,3-trifluoro-1-(1-methylimidazol-4-yl)propan-1-amine
PubChem CID130598930
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name(1R)-3,3,3-trifluoro-1-(1-methylimidazol-4-yl)propan-1-amine
SMILESCn1cnc([C@H](N)CC(F)(F)F)c1
InChIInChI=1S/C7H10F3N3/c1-13-3-6(12-4-13)5(11)2-7(8,9)10/h3-5H,2,11H2,1H3/t5-/m1/s1
InChIKeyFUHPRZKGSOIZIT-RXMQYKEDSA-N
XLogP1.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylimidazol-4-yl)but-3-yn-1-amine
CID 107973346
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CID 96637865
1-(1-methylimidazol-4-yl)nonan-1-amine
CID 107974313
(1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride
CID 162341661
(1R)-2,2,2-trifluoro-1-(1-methylimidazol-4-yl)ethanol
CID 130508957
1-(3-tert-butyl-1-methylpyrazol-4-yl)-3,3,3-trifluoropropan-1-amine
CID 113404126
(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 114022944
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107975911
2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107977095
2-amino-1-(1-methylimidazol-4-yl)propan-1-ol
CID 130598579
3-methyl-1-(1-methylimidazol-4-yl)but-2-en-1-amine
CID 107976194
2-(3-chloro-2-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107977894

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3,3-trifluoro-1-(1-methylimidazol-4-yl)propan-1-amine?
The IUPAC name of (1R)-3,3,3-trifluoro-1-(1-methylimidazol-4-yl)propan-1-amine (CID 130598930) is (1R)-3,3,3-trifluoro-1-(1-methylimidazol-4-yl)propan-1-amine.
What is the SMILES notation for (1R)-3,3,3-trifluoro-1-(1-methylimidazol-4-yl)propan-1-amine?
The canonical SMILES for (1R)-3,3,3-trifluoro-1-(1-methylimidazol-4-yl)propan-1-amine is Cn1cnc([C@H](N)CC(F)(F)F)c1.
What is the InChIKey of (1R)-3,3,3-trifluoro-1-(1-methylimidazol-4-yl)propan-1-amine?
The InChIKey is FUHPRZKGSOIZIT-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-13-3-6(12-4-13)5(11)2-7(8,9)10/h3-5H,2,11H2,1H3/t5-/m1/s1.
What are the key properties of (1R)-3,3,3-trifluoro-1-(1-methylimidazol-4-yl)propan-1-amine?
(1R)-3,3,3-trifluoro-1-(1-methylimidazol-4-yl)propan-1-amine has a molecular weight of 193.17 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3,3-trifluoro-1-(1-methylimidazol-4-yl)propan-1-amine is sourced from PubChem (CID 130598930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).