1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-N-methylmethanimine

C9H11F2N — CID 145173471

IUPAC1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-N-methylmethanimine
SMILESC=CC1=C(/C=N/C)CC(F)(F)C1
InChIInChI=1S/C9H11F2N/c1-3-7-4-9(10,11)5-8(7)6-12-2/h3,6H,1,4-5H2,2H3/b12-6+
InChIKeyIZHMZPHSQANVCI-WUXMJOGZSA-N
MW171.19 g/mol
LogP2.60
Rot. Bonds2

About 1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-N-methylmethanimine

1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-N-methylmethanimine (PubChem CID 145173471) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is 1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-N-methylmethanimine
PubChem CID145173471
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC Name1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-N-methylmethanimine
SMILESC=CC1=C(/C=N/C)CC(F)(F)C1
InChIInChI=1S/C9H11F2N/c1-3-7-4-9(10,11)5-8(7)6-12-2/h3,6H,1,4-5H2,2H3/b12-6+
InChIKeyIZHMZPHSQANVCI-WUXMJOGZSA-N
XLogP2.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 52.60
H-Bond Donors ≤ 50
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-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-N-methylmethanimine?
The IUPAC name of 1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-N-methylmethanimine (CID 145173471) is 1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-N-methylmethanimine.
What is the SMILES notation for 1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-N-methylmethanimine?
The canonical SMILES for 1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-N-methylmethanimine is C=CC1=C(/C=N/C)CC(F)(F)C1.
What is the InChIKey of 1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-N-methylmethanimine?
The InChIKey is IZHMZPHSQANVCI-WUXMJOGZSA-N. The full InChI is InChI=1S/C9H11F2N/c1-3-7-4-9(10,11)5-8(7)6-12-2/h3,6H,1,4-5H2,2H3/b12-6+.
What are the key properties of 1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-N-methylmethanimine?
1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-N-methylmethanimine has a molecular weight of 171.19 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-N-methylmethanimine is sourced from PubChem (CID 145173471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).