2-(3,4-difluorophenyl)cyclopropan-1-imine

C9H7F2N — CID 123926157

IUPAC2-(3,4-difluorophenyl)cyclopropan-1-imine
SMILES[H]/N=C1\CC1c1ccc(F)c(F)c1
InChIInChI=1S/C9H7F2N/c10-7-2-1-5(3-8(7)11)6-4-9(6)12/h1-3,6,12H,4H2/b12-9+
InChIKeyAYVNBIBJNIJXMR-FMIVXFBMSA-N
MW167.16 g/mol
LogP2.47
Rot. Bonds1

About 2-(3,4-difluorophenyl)cyclopropan-1-imine

2-(3,4-difluorophenyl)cyclopropan-1-imine (PubChem CID 123926157) has the molecular formula C9H7F2N and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)cyclopropan-1-imine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)cyclopropan-1-imine
PubChem CID123926157
Molecular FormulaC9H7F2N
Molecular Weight167.16 g/mol
Exact Mass167.05
IUPAC Name2-(3,4-difluorophenyl)cyclopropan-1-imine
SMILES[H]/N=C1\CC1c1ccc(F)c(F)c1
InChIInChI=1S/C9H7F2N/c10-7-2-1-5(3-8(7)11)6-4-9(6)12/h1-3,6,12H,4H2/b12-9+
InChIKeyAYVNBIBJNIJXMR-FMIVXFBMSA-N
XLogP2.47
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 52.47
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

1,2-difluoro-4-(2-methylidenecyclopropyl)benzene
CID 123284155
4-(3,4-difluorophenyl)azetidin-2-one
CID 64665569
3-(3,4-difluorophenyl)-1-methylpyrrolidine-2,5-dione
CID 70971674
trans-(1S,2R)-2-(3,4-difluorophenyl)cyclopropan-1-amine;trans-(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine
CID 154925657
[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine
CID 94556780
cis-(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carbaldehyde
CID 95994342
(3S)-3-(3,4-difluorophenyl)cyclopentan-1-one
CID 95375871
2-(3,4-difluorophenyl)-2H-imidazole
CID 68557525
(5S)-5-(3,4-difluorophenyl)pyrrolidin-3-one
CID 67459920
(1S,3S)-3-(3,4-difluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 59582043
4-cyclopropyl-1,2-difluorobenzene;formic acid
CID 144529056
ethyl (4S)-4-(3,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 1488631

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)cyclopropan-1-imine?
The IUPAC name of 2-(3,4-difluorophenyl)cyclopropan-1-imine (CID 123926157) is 2-(3,4-difluorophenyl)cyclopropan-1-imine.
What is the SMILES notation for 2-(3,4-difluorophenyl)cyclopropan-1-imine?
The canonical SMILES for 2-(3,4-difluorophenyl)cyclopropan-1-imine is [H]/N=C1\CC1c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)cyclopropan-1-imine?
The InChIKey is AYVNBIBJNIJXMR-FMIVXFBMSA-N. The full InChI is InChI=1S/C9H7F2N/c10-7-2-1-5(3-8(7)11)6-4-9(6)12/h1-3,6,12H,4H2/b12-9+.
What are the key properties of 2-(3,4-difluorophenyl)cyclopropan-1-imine?
2-(3,4-difluorophenyl)cyclopropan-1-imine has a molecular weight of 167.16 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)cyclopropan-1-imine is sourced from PubChem (CID 123926157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).