3,3,3-trifluoro-1-(1H-imidazol-5-yl)propan-1-amine

C6H8F3N3 — CID 82409786

IUPAC3,3,3-trifluoro-1-(1H-imidazol-5-yl)propan-1-amine
SMILESNC(CC(F)(F)F)c1cnc[nH]1
InChIInChI=1S/C6H8F3N3/c7-6(8,9)1-4(10)5-2-11-3-12-5/h2-4H,1,10H2,(H,11,12)
InChIKeyZPZKGUSJDGHAEI-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.36
Rot. Bonds2

About 3,3,3-trifluoro-1-(1H-imidazol-5-yl)propan-1-amine

3,3,3-trifluoro-1-(1H-imidazol-5-yl)propan-1-amine (PubChem CID 82409786) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(1H-imidazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(1H-imidazol-5-yl)propan-1-amine
PubChem CID82409786
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name3,3,3-trifluoro-1-(1H-imidazol-5-yl)propan-1-amine
SMILESNC(CC(F)(F)F)c1cnc[nH]1
InChIInChI=1S/C6H8F3N3/c7-6(8,9)1-4(10)5-2-11-3-12-5/h2-4H,1,10H2,(H,11,12)
InChIKeyZPZKGUSJDGHAEI-UHFFFAOYSA-N
XLogP1.36
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(1H-imidazol-5-yl)propan-1-amine
CID 68653540
(1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine
CID 103689442
5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole
CID 152974104
(2S,3S)-3-(1H-imidazol-5-yl)butan-2-amine;dihydrobromide
CID 45262234
2-(3-aminopropanoylamino)-2-(1H-imidazol-5-yl)acetic acid
CID 10176709
(2R)-2-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride
CID 67125181
carbon dioxide;1-(1H-imidazol-5-yl)ethanamine
CID 176541381
1-(1H-imidazol-5-yl)ethane-1,2-diol
CID 54365092
methyl 2-amino-2-(1H-imidazol-5-yl)acetate
CID 20624250
(1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine
CID 131385428
2-(1H-imidazol-5-yl)but-3-yn-1-amine;dihydrochloride
CID 88806755
(2R)-2-amino-3-(1H-imidazol-5-yl)propanamide
CID 22877832

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(1H-imidazol-5-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(1H-imidazol-5-yl)propan-1-amine (CID 82409786) is 3,3,3-trifluoro-1-(1H-imidazol-5-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(1H-imidazol-5-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(1H-imidazol-5-yl)propan-1-amine is NC(CC(F)(F)F)c1cnc[nH]1.
What is the InChIKey of 3,3,3-trifluoro-1-(1H-imidazol-5-yl)propan-1-amine?
The InChIKey is ZPZKGUSJDGHAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c7-6(8,9)1-4(10)5-2-11-3-12-5/h2-4H,1,10H2,(H,11,12).
What are the key properties of 3,3,3-trifluoro-1-(1H-imidazol-5-yl)propan-1-amine?
3,3,3-trifluoro-1-(1H-imidazol-5-yl)propan-1-amine has a molecular weight of 179.15 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(1H-imidazol-5-yl)propan-1-amine is sourced from PubChem (CID 82409786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).