2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine

C7H11F2N3 — CID 63296087

IUPAC2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCn1ccnc1CNCC(F)F
InChIInChI=1S/C7H11F2N3/c1-12-3-2-11-7(12)5-10-4-6(8)9/h2-3,6,10H,4-5H2,1H3
InChIKeyYYPTYFVKEVRIBT-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.77
Rot. Bonds4

About 2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine

2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 63296087) has the molecular formula C7H11F2N3 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID63296087
Molecular FormulaC7H11F2N3
Molecular Weight175.18 g/mol
Exact Mass175.09
IUPAC Name2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCn1ccnc1CNCC(F)F
InChIInChI=1S/C7H11F2N3/c1-12-3-2-11-7(12)5-10-4-6(8)9/h2-3,6,10H,4-5H2,1H3
InChIKeyYYPTYFVKEVRIBT-UHFFFAOYSA-N
XLogP0.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-difluoro-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 103731677
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine
CID 64570643
N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 115405976
4-methyl-5-[(1-methylimidazol-2-yl)methylamino]pentan-2-ol
CID 115644645
methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate
CID 63295782
2-(fluoromethyl)-1-methylimidazole
CID 11679811
3,3,3-trifluoro-N'-hydroxy-2-[[(1-methylimidazol-2-yl)methylamino]methyl]propanimidamide
CID 103369725
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
3-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)butan-1-amine
CID 62350137
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 63295550
2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 63295776
N-[(1-methylimidazol-2-yl)methyl]-1-(2,4,5-trifluorophenyl)methanamine
CID 113263576

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine (CID 63296087) is 2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine is Cn1ccnc1CNCC(F)F.
What is the InChIKey of 2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is YYPTYFVKEVRIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3/c1-12-3-2-11-7(12)5-10-4-6(8)9/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 175.18 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 63296087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).