(1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanamine

C9H12F3N3 — CID 106212137

IUPAC(1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cncn1C1(C(F)(F)F)CC1
InChIInChI=1S/C9H12F3N3/c1-6(13)7-4-14-5-15(7)8(2-3-8)9(10,11)12/h4-6H,2-3,13H2,1H3/t6-/m1/s1
InChIKeyUXIDHPPLYUQDLQ-ZCFIWIBFSA-N
MW219.21 g/mol
LogP1.95
Rot. Bonds2

About (1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanamine

(1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanamine (PubChem CID 106212137) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is (1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanamine
PubChem CID106212137
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name(1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cncn1C1(C(F)(F)F)CC1
InChIInChI=1S/C9H12F3N3/c1-6(13)7-4-14-5-15(7)8(2-3-8)9(10,11)12/h4-6H,2-3,13H2,1H3/t6-/m1/s1
InChIKeyUXIDHPPLYUQDLQ-ZCFIWIBFSA-N
XLogP1.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine
CID 106212111
(1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine
CID 106212099
3-methyl-2-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]butan-1-amine
CID 106212093
[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]methanol
CID 106216994
3-[1-(trifluoromethyl)cyclopropyl]imidazole-4-carbaldehyde
CID 106216993
(1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
CID 104941818
(1S)-1-[3-(3,5-dimethyl-1-adamantyl)imidazol-4-yl]ethanamine
CID 104943385
(1S)-1-(3-methylimidazol-4-yl)ethanamine
CID 82898137
(1R)-1-[3-(2-methylbutan-2-yl)imidazol-4-yl]ethanamine
CID 104941998
(1R)-1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethanamine
CID 104943263
(1S)-1-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]ethanamine
CID 106433539
1-[3-(5,5,5-trifluoropentyl)imidazol-4-yl]ethanamine
CID 114707019

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanamine (CID 106212137) is (1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanamine is C[C@@H](N)c1cncn1C1(C(F)(F)F)CC1.
What is the InChIKey of (1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanamine?
The InChIKey is UXIDHPPLYUQDLQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-6(13)7-4-14-5-15(7)8(2-3-8)9(10,11)12/h4-6H,2-3,13H2,1H3/t6-/m1/s1.
What are the key properties of (1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanamine?
(1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanamine has a molecular weight of 219.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 106212137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).