N-[(2,4-difluorophenyl)methyl]methanimine

C8H7F2N — CID 123291562

IUPACN-[(2,4-difluorophenyl)methyl]methanimine
SMILESC=NCc1ccc(F)cc1F
InChIInChI=1S/C8H7F2N/c1-11-5-6-2-3-7(9)4-8(6)10/h2-4H,1,5H2
InChIKeyVGJMMWSBQLXKQN-UHFFFAOYSA-N
MW155.15 g/mol
LogP2.17
Rot. Bonds2

About N-[(2,4-difluorophenyl)methyl]methanimine

N-[(2,4-difluorophenyl)methyl]methanimine (PubChem CID 123291562) has the molecular formula C8H7F2N and a molecular weight of 155.15 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]methanimine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]methanimine
PubChem CID123291562
Molecular FormulaC8H7F2N
Molecular Weight155.15 g/mol
Exact Mass155.05
IUPAC NameN-[(2,4-difluorophenyl)methyl]methanimine
SMILESC=NCc1ccc(F)cc1F
InChIInChI=1S/C8H7F2N/c1-11-5-6-2-3-7(9)4-8(6)10/h2-4H,1,5H2
InChIKeyVGJMMWSBQLXKQN-UHFFFAOYSA-N
XLogP2.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(azidomethyl)-2,4-difluorobenzene;1-(chloromethyl)-2,4-difluorobenzene
CID 158479516
1-(2,4-difluorophenyl)-N-fluoromethanamine
CID 142839769
dideuterio-(2,4-difluorophenyl)methanol
CID 90303710
(2,4-difluorophenyl)methyl nitrite
CID 174767305
CID 58696093
CID 58696093
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
1-(3-bromo-2,2-dimethylpropyl)-2,4-difluorobenzene
CID 66048183
3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 62962606
2,4-difluoro-1-[(4-fluorophenyl)sulfonylmethyl]benzene
CID 64717962
4-bromo-2-[(2,4-difluorophenyl)methyliminomethyl]phenol
CID 135657334
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
(2,4-difluorophenyl)methanesulfonic acid
CID 87155472

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]methanimine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]methanimine (CID 123291562) is N-[(2,4-difluorophenyl)methyl]methanimine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]methanimine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]methanimine is C=NCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]methanimine?
The InChIKey is VGJMMWSBQLXKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N/c1-11-5-6-2-3-7(9)4-8(6)10/h2-4H,1,5H2.
What are the key properties of N-[(2,4-difluorophenyl)methyl]methanimine?
N-[(2,4-difluorophenyl)methyl]methanimine has a molecular weight of 155.15 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]methanimine is sourced from PubChem (CID 123291562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).