3,3-difluoro-N-(1H-imidazol-2-yl)-2-methylbutanamide

C8H11F2N3O — CID 131084397

IUPAC3,3-difluoro-N-(1H-imidazol-2-yl)-2-methylbutanamide
SMILESCC(C(=O)Nc1ncc[nH]1)C(C)(F)F
InChIInChI=1S/C8H11F2N3O/c1-5(8(2,9)10)6(14)13-7-11-3-4-12-7/h3-5H,1-2H3,(H2,11,12,13,14)
InChIKeyUAENFOAZQISAAB-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.64
Rot. Bonds3

About 3,3-difluoro-N-(1H-imidazol-2-yl)-2-methylbutanamide

3,3-difluoro-N-(1H-imidazol-2-yl)-2-methylbutanamide (PubChem CID 131084397) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 3,3-difluoro-N-(1H-imidazol-2-yl)-2-methylbutanamide.

Molecular Properties

Compound Name3,3-difluoro-N-(1H-imidazol-2-yl)-2-methylbutanamide
PubChem CID131084397
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name3,3-difluoro-N-(1H-imidazol-2-yl)-2-methylbutanamide
SMILESCC(C(=O)Nc1ncc[nH]1)C(C)(F)F
InChIInChI=1S/C8H11F2N3O/c1-5(8(2,9)10)6(14)13-7-11-3-4-12-7/h3-5H,1-2H3,(H2,11,12,13,14)
InChIKeyUAENFOAZQISAAB-UHFFFAOYSA-N
XLogP1.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(1H-imidazol-2-yl)-2-methylbutanamide?
The IUPAC name of 3,3-difluoro-N-(1H-imidazol-2-yl)-2-methylbutanamide (CID 131084397) is 3,3-difluoro-N-(1H-imidazol-2-yl)-2-methylbutanamide.
What is the SMILES notation for 3,3-difluoro-N-(1H-imidazol-2-yl)-2-methylbutanamide?
The canonical SMILES for 3,3-difluoro-N-(1H-imidazol-2-yl)-2-methylbutanamide is CC(C(=O)Nc1ncc[nH]1)C(C)(F)F.
What is the InChIKey of 3,3-difluoro-N-(1H-imidazol-2-yl)-2-methylbutanamide?
The InChIKey is UAENFOAZQISAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-5(8(2,9)10)6(14)13-7-11-3-4-12-7/h3-5H,1-2H3,(H2,11,12,13,14).
What are the key properties of 3,3-difluoro-N-(1H-imidazol-2-yl)-2-methylbutanamide?
3,3-difluoro-N-(1H-imidazol-2-yl)-2-methylbutanamide has a molecular weight of 203.19 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(1H-imidazol-2-yl)-2-methylbutanamide is sourced from PubChem (CID 131084397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).