3-(2,2-difluoroethyl)-5-methylimidazol-4-amine

C6H9F2N3 — CID 118309563

IUPAC3-(2,2-difluoroethyl)-5-methylimidazol-4-amine
SMILESCc1ncn(CC(F)F)c1N
InChIInChI=1S/C6H9F2N3/c1-4-6(9)11(3-10-4)2-5(7)8/h3,5H,2,9H2,1H3
InChIKeyPLPRDKNJVCPLRJ-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.04
Rot. Bonds2

About 3-(2,2-difluoroethyl)-5-methylimidazol-4-amine

3-(2,2-difluoroethyl)-5-methylimidazol-4-amine (PubChem CID 118309563) has the molecular formula C6H9F2N3 and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-5-methylimidazol-4-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-5-methylimidazol-4-amine
PubChem CID118309563
Molecular FormulaC6H9F2N3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name3-(2,2-difluoroethyl)-5-methylimidazol-4-amine
SMILESCc1ncn(CC(F)F)c1N
InChIInChI=1S/C6H9F2N3/c1-4-6(9)11(3-10-4)2-5(7)8/h3,5H,2,9H2,1H3
InChIKeyPLPRDKNJVCPLRJ-UHFFFAOYSA-N
XLogP1.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethyl-1H-imidazol-5-amine
CID 45116671
1,4-dimethyl-1H-imidazol-5-amine hydrochloride
CID 74889882
1H-Imidazole-1-ethanamine, 4,5-dimethyl-, hydrochloride (1:2)
CID 75531085
1-methyl-4-(trifluoromethyl)-1H-imidazol-2-amine
CID 138991202
8-Methyl-1,4-dihydroimidazo[1,5-a][1,3,5]triazin-4-amine
CID 44345302
6,8-Dimethyl-1,4-dihydroimidazo[1,5-a][1,3,5]triazin-4-amine
CID 44345364
1,2-Dimethyl-4-(trifluoromethyl)-1h-imidazole
CID 12747526
1,4,5-Trimethyl-1H-imidazole
CID 573598
4-amino-1-methyl-1H-imidazole-5-carboselenoamide
CID 6327894
5-Amino-1-methyl-1H-imidazole-4-carboselenoamide
CID 6327958
2-Tert-butyl-1-methyl-4-(trifluoromethyl)imidazole
CID 15500426
((1,4,5-Trimethyl-1H-imidazol-2-yl)methyl)amine dihydrochloride
CID 75485560

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-5-methylimidazol-4-amine?
The IUPAC name of 3-(2,2-difluoroethyl)-5-methylimidazol-4-amine (CID 118309563) is 3-(2,2-difluoroethyl)-5-methylimidazol-4-amine.
What is the SMILES notation for 3-(2,2-difluoroethyl)-5-methylimidazol-4-amine?
The canonical SMILES for 3-(2,2-difluoroethyl)-5-methylimidazol-4-amine is Cc1ncn(CC(F)F)c1N.
What is the InChIKey of 3-(2,2-difluoroethyl)-5-methylimidazol-4-amine?
The InChIKey is PLPRDKNJVCPLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3/c1-4-6(9)11(3-10-4)2-5(7)8/h3,5H,2,9H2,1H3.
What are the key properties of 3-(2,2-difluoroethyl)-5-methylimidazol-4-amine?
3-(2,2-difluoroethyl)-5-methylimidazol-4-amine has a molecular weight of 161.16 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-5-methylimidazol-4-amine is sourced from PubChem (CID 118309563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).