[1-(2,2-difluoropropyl)imidazol-4-yl]methanamine

C7H11F2N3 — CID 164654588

IUPAC[1-(2,2-difluoropropyl)imidazol-4-yl]methanamine
SMILESCC(F)(F)Cn1cnc(CN)c1
InChIInChI=1S/C7H11F2N3/c1-7(8,9)4-12-3-6(2-10)11-5-12/h3,5H,2,4,10H2,1H3
InChIKeyJAQZZMKERPDVKG-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.00
Rot. Bonds3

About [1-(2,2-difluoropropyl)imidazol-4-yl]methanamine

[1-(2,2-difluoropropyl)imidazol-4-yl]methanamine (PubChem CID 164654588) has the molecular formula C7H11F2N3 and a molecular weight of 175.18 g/mol. Its IUPAC name is [1-(2,2-difluoropropyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,2-difluoropropyl)imidazol-4-yl]methanamine
PubChem CID164654588
Molecular FormulaC7H11F2N3
Molecular Weight175.18 g/mol
Exact Mass175.09
IUPAC Name[1-(2,2-difluoropropyl)imidazol-4-yl]methanamine
SMILESCC(F)(F)Cn1cnc(CN)c1
InChIInChI=1S/C7H11F2N3/c1-7(8,9)4-12-3-6(2-10)11-5-12/h3,5H,2,4,10H2,1H3
InChIKeyJAQZZMKERPDVKG-UHFFFAOYSA-N
XLogP1.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-butylimidazol-4-yl)methanamine
CID 82467842
1-[4-(2-aminoethyl)imidazol-1-yl]-2-methylpropan-2-ol;dihydrochloride
CID 68755359
[1-(2-methoxyethyl)imidazol-4-yl]methanamine
CID 82467874
[1-(2-ethylsulfonylethyl)imidazol-4-yl]methanamine
CID 106718001
2-(4-tert-butylimidazol-1-yl)ethanamine
CID 82512100
3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol
CID 106717943
(2R)-2-amino-3-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-ol
CID 165447061
[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-4-yl]methanamine
CID 106718044
[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methanamine
CID 106718043
(1-benzylimidazol-4-yl)methanamine
CID 82281097
[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine
CID 106717912
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 107500820

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoropropyl)imidazol-4-yl]methanamine?
The IUPAC name of [1-(2,2-difluoropropyl)imidazol-4-yl]methanamine (CID 164654588) is [1-(2,2-difluoropropyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [1-(2,2-difluoropropyl)imidazol-4-yl]methanamine?
The canonical SMILES for [1-(2,2-difluoropropyl)imidazol-4-yl]methanamine is CC(F)(F)Cn1cnc(CN)c1.
What is the InChIKey of [1-(2,2-difluoropropyl)imidazol-4-yl]methanamine?
The InChIKey is JAQZZMKERPDVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3/c1-7(8,9)4-12-3-6(2-10)11-5-12/h3,5H,2,4,10H2,1H3.
What are the key properties of [1-(2,2-difluoropropyl)imidazol-4-yl]methanamine?
[1-(2,2-difluoropropyl)imidazol-4-yl]methanamine has a molecular weight of 175.18 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoropropyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 164654588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).