2-(2,4-difluorophenyl)cyclobutan-1-imine

C10H9F2N — CID 123433465

IUPAC2-(2,4-difluorophenyl)cyclobutan-1-imine
SMILES[H]/N=C1\CCC1c1ccc(F)cc1F
InChIInChI=1S/C10H9F2N/c11-6-1-2-7(9(12)5-6)8-3-4-10(8)13/h1-2,5,8,13H,3-4H2/b13-10+
InChIKeyUEHWWVDVCPPPJG-JLHYYAGUSA-N
MW181.19 g/mol
LogP2.86
Rot. Bonds1

About 2-(2,4-difluorophenyl)cyclobutan-1-imine

2-(2,4-difluorophenyl)cyclobutan-1-imine (PubChem CID 123433465) has the molecular formula C10H9F2N and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)cyclobutan-1-imine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)cyclobutan-1-imine
PubChem CID123433465
Molecular FormulaC10H9F2N
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-(2,4-difluorophenyl)cyclobutan-1-imine
SMILES[H]/N=C1\CCC1c1ccc(F)cc1F
InChIInChI=1S/C10H9F2N/c11-6-1-2-7(9(12)5-6)8-3-4-10(8)13/h1-2,5,8,13H,3-4H2/b13-10+
InChIKeyUEHWWVDVCPPPJG-JLHYYAGUSA-N
XLogP2.86
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-7-(2,4-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 154462822
(4S)-4-(2,4-difluorophenyl)-2-methylcyclohex-2-en-1-one
CID 950685
3-bromo-1-(2,4-difluorophenyl)-4-iminopiperidin-2-one
CID 123488865
[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]methanamine
CID 94556815
3-(2,4-difluorophenyl)-2-methylpyrrolidine
CID 62354967
(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine
CID 142165697
1-chloro-3-(2,4-difluorophenyl)cycloheptane
CID 64509762
2-(2,4-difluorophenyl)imidazolidin-4-one
CID 130678809
(4S)-4-(2,5-difluorophenyl)cyclohexane-1,3-dione
CID 125479891
2-(2,4-difluorophenyl)pyrrolidin-1-amine
CID 83531554
1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;ethane
CID 143435632
(2R,3R)-2-(2,4-difluorophenyl)-3-methyloxirane
CID 131874606

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)cyclobutan-1-imine?
The IUPAC name of 2-(2,4-difluorophenyl)cyclobutan-1-imine (CID 123433465) is 2-(2,4-difluorophenyl)cyclobutan-1-imine.
What is the SMILES notation for 2-(2,4-difluorophenyl)cyclobutan-1-imine?
The canonical SMILES for 2-(2,4-difluorophenyl)cyclobutan-1-imine is [H]/N=C1\CCC1c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)cyclobutan-1-imine?
The InChIKey is UEHWWVDVCPPPJG-JLHYYAGUSA-N. The full InChI is InChI=1S/C10H9F2N/c11-6-1-2-7(9(12)5-6)8-3-4-10(8)13/h1-2,5,8,13H,3-4H2/b13-10+.
What are the key properties of 2-(2,4-difluorophenyl)cyclobutan-1-imine?
2-(2,4-difluorophenyl)cyclobutan-1-imine has a molecular weight of 181.19 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)cyclobutan-1-imine is sourced from PubChem (CID 123433465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).