N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine

C8H13F2N3 — CID 115405976

IUPACN-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine
SMILESCCn1ccnc1CNCC(F)F
InChIInChI=1S/C8H13F2N3/c1-2-13-4-3-12-8(13)6-11-5-7(9)10/h3-4,7,11H,2,5-6H2,1H3
InChIKeyDHXXCOQIIRJZDH-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.26
Rot. Bonds5

About N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine

N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine (PubChem CID 115405976) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine
PubChem CID115405976
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine
SMILESCCn1ccnc1CNCC(F)F
InChIInChI=1S/C8H13F2N3/c1-2-13-4-3-12-8(13)6-11-5-7(9)10/h3-4,7,11H,2,5-6H2,1H3
InChIKeyDHXXCOQIIRJZDH-UHFFFAOYSA-N
XLogP1.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylimidazol-2-yl)methylamino]-3-methylbutan-2-ol
CID 115641698
2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 63296087
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
3-[(1-ethylimidazol-2-yl)methylamino]-2-hydroxypropanamide
CID 106171215
N-[(1-ethylimidazol-2-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 62350659
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 62355684
1-cyclopenta-1,4-dien-1-yl-N-[(1-ethylimidazol-2-yl)methyl]methanamine
CID 91928165
2-[(1-ethylimidazol-2-yl)methyl]-1,1-dimethylhydrazine
CID 83003999
N-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine
CID 116642955
3-(1-ethylimidazol-2-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516863
(2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol
CID 114985494
3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784365

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine (CID 115405976) is N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine is CCn1ccnc1CNCC(F)F.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine?
The InChIKey is DHXXCOQIIRJZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-2-13-4-3-12-8(13)6-11-5-7(9)10/h3-4,7,11H,2,5-6H2,1H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine?
N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine has a molecular weight of 189.21 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 115405976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).