1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine

C9H10F5N — CID 139425186

IUPAC1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine
SMILES[H]/N=C(/C1=C(C)C(F)(F)C(C)C1)C(F)(F)F
InChIInChI=1S/C9H10F5N/c1-4-3-6(5(2)8(4,10)11)7(15)9(12,13)14/h4,15H,3H2,1-2H3/b15-7-
InChIKeyNCWUDCGRAODBFI-CHHVJCJISA-N
MW227.18 g/mol
LogP3.56
Rot. Bonds1

About 1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine

1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine (PubChem CID 139425186) has the molecular formula C9H10F5N and a molecular weight of 227.18 g/mol. Its IUPAC name is 1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine.

Molecular Properties

Compound Name1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine
PubChem CID139425186
Molecular FormulaC9H10F5N
Molecular Weight227.18 g/mol
Exact Mass227.07
IUPAC Name1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine
SMILES[H]/N=C(/C1=C(C)C(F)(F)C(C)C1)C(F)(F)F
InChIInChI=1S/C9H10F5N/c1-4-3-6(5(2)8(4,10)11)7(15)9(12,13)14/h4,15H,3H2,1-2H3/b15-7-
InChIKeyNCWUDCGRAODBFI-CHHVJCJISA-N
XLogP3.56
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine?
The IUPAC name of 1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine (CID 139425186) is 1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine.
What is the SMILES notation for 1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine?
The canonical SMILES for 1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine is [H]/N=C(/C1=C(C)C(F)(F)C(C)C1)C(F)(F)F.
What is the InChIKey of 1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine?
The InChIKey is NCWUDCGRAODBFI-CHHVJCJISA-N. The full InChI is InChI=1S/C9H10F5N/c1-4-3-6(5(2)8(4,10)11)7(15)9(12,13)14/h4,15H,3H2,1-2H3/b15-7-.
What are the key properties of 1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine?
1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine has a molecular weight of 227.18 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine is sourced from PubChem (CID 139425186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).