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

C9H13F2N — CID 139425184

IUPAC1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)ethanimine
SMILES[H]/N=C(\C)C1=C(C)C(F)(F)C(C)C1
InChIInChI=1S/C9H13F2N/c1-5-4-8(7(3)12)6(2)9(5,10)11/h5,12H,4H2,1-3H3/b12-7+
InChIKeyIHOJTOMQPXHFBU-KPKJPENVSA-N
MW173.21 g/mol
LogP3.02
Rot. Bonds1

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

1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)ethanimine (PubChem CID 139425184) has the molecular formula C9H13F2N and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)ethanimine.

Molecular Properties

Compound Name1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)ethanimine
PubChem CID139425184
Molecular FormulaC9H13F2N
Molecular Weight173.21 g/mol
Exact Mass173.10
IUPAC Name1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)ethanimine
SMILES[H]/N=C(\C)C1=C(C)C(F)(F)C(C)C1
InChIInChI=1S/C9H13F2N/c1-5-4-8(7(3)12)6(2)9(5,10)11/h5,12H,4H2,1-3H3/b12-7+
InChIKeyIHOJTOMQPXHFBU-KPKJPENVSA-N
XLogP3.02
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 53.02
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)ethanimine?
The IUPAC name of 1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)ethanimine (CID 139425184) is 1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)ethanimine.
What is the SMILES notation for 1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)ethanimine?
The canonical SMILES for 1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)ethanimine is [H]/N=C(\C)C1=C(C)C(F)(F)C(C)C1.
What is the InChIKey of 1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)ethanimine?
The InChIKey is IHOJTOMQPXHFBU-KPKJPENVSA-N. The full InChI is InChI=1S/C9H13F2N/c1-5-4-8(7(3)12)6(2)9(5,10)11/h5,12H,4H2,1-3H3/b12-7+.
What are the key properties of 1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)ethanimine?
1-(3,3-difluoro-2,4-dimethylcyclopenten-1-yl)ethanimine has a molecular weight of 173.21 g/mol, XLogP of 3.02, 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)ethanimine is sourced from PubChem (CID 139425184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).