(2R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-2-amine

C8H12F3N3 — CID 129102621

IUPAC(2R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-2-amine
SMILESC[C@@H](N)Cc1cncn1CC(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-6(12)2-7-3-13-5-14(7)4-8(9,10)11/h3,5-6H,2,4,12H2,1H3/t6-/m1/s1
InChIKeyKKRDHPVLJMRHCW-ZCFIWIBFSA-N
MW207.20 g/mol
LogP1.34
Rot. Bonds3

About (2R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-2-amine

(2R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-2-amine (PubChem CID 129102621) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is (2R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-2-amine
PubChem CID129102621
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name(2R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-2-amine
SMILESC[C@@H](N)Cc1cncn1CC(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-6(12)2-7-3-13-5-14(7)4-8(9,10)11/h3,5-6H,2,4,12H2,1H3/t6-/m1/s1
InChIKeyKKRDHPVLJMRHCW-ZCFIWIBFSA-N
XLogP1.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-2-amine?
The IUPAC name of (2R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-2-amine (CID 129102621) is (2R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for (2R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for (2R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-2-amine is C[C@@H](N)Cc1cncn1CC(F)(F)F.
What is the InChIKey of (2R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-2-amine?
The InChIKey is KKRDHPVLJMRHCW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-6(12)2-7-3-13-5-14(7)4-8(9,10)11/h3,5-6H,2,4,12H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-2-amine?
(2R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-2-amine has a molecular weight of 207.20 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 129102621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).