1-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]ethanamine

C7H11F2N3 — CID 84766816

IUPAC1-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]ethanamine
SMILESCC(N)c1ncc(C(C)(F)F)[nH]1
InChIInChI=1S/C7H11F2N3/c1-4(10)6-11-3-5(12-6)7(2,8)9/h3-4H,10H2,1-2H3,(H,11,12)
InChIKeyIBVICGCZIRVSCZ-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.54
Rot. Bonds2

About 1-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]ethanamine

1-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]ethanamine (PubChem CID 84766816) has the molecular formula C7H11F2N3 and a molecular weight of 175.18 g/mol. Its IUPAC name is 1-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]ethanamine
PubChem CID84766816
Molecular FormulaC7H11F2N3
Molecular Weight175.18 g/mol
Exact Mass175.09
IUPAC Name1-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]ethanamine
SMILESCC(N)c1ncc(C(C)(F)F)[nH]1
InChIInChI=1S/C7H11F2N3/c1-4(10)6-11-3-5(12-6)7(2,8)9/h3-4H,10H2,1-2H3,(H,11,12)
InChIKeyIBVICGCZIRVSCZ-UHFFFAOYSA-N
XLogP1.54
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]ethanamine (CID 84766816) is 1-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]ethanamine is CC(N)c1ncc(C(C)(F)F)[nH]1.
What is the InChIKey of 1-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]ethanamine?
The InChIKey is IBVICGCZIRVSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3/c1-4(10)6-11-3-5(12-6)7(2,8)9/h3-4H,10H2,1-2H3,(H,11,12).
What are the key properties of 1-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]ethanamine?
1-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]ethanamine has a molecular weight of 175.18 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 84766816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).