N-[(2,6-difluorophenyl)methyl]methanimine

C8H7F2N — CID 142040914

IUPACN-[(2,6-difluorophenyl)methyl]methanimine
SMILESC=NCc1c(F)cccc1F
InChIInChI=1S/C8H7F2N/c1-11-5-6-7(9)3-2-4-8(6)10/h2-4H,1,5H2
InChIKeyMFRUDGZKAQTIDA-UHFFFAOYSA-N
MW155.15 g/mol
LogP2.17
Rot. Bonds2

About N-[(2,6-difluorophenyl)methyl]methanimine

N-[(2,6-difluorophenyl)methyl]methanimine (PubChem CID 142040914) has the molecular formula C8H7F2N and a molecular weight of 155.15 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]methanimine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]methanimine
PubChem CID142040914
Molecular FormulaC8H7F2N
Molecular Weight155.15 g/mol
Exact Mass155.05
IUPAC NameN-[(2,6-difluorophenyl)methyl]methanimine
SMILESC=NCc1c(F)cccc1F
InChIInChI=1S/C8H7F2N/c1-11-5-6-7(9)3-2-4-8(6)10/h2-4H,1,5H2
InChIKeyMFRUDGZKAQTIDA-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'}

Analyze N-[(2,6-difluorophenyl)methyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene
CID 15013079
2-(bromomethyl)-1,3-difluorobenzene;ethene
CID 178142068
2-(bromomethyl)-1,3-difluorobenzene;hydrochloride
CID 175540499
(2,6-difluorophenyl)methanethiol;ethane
CID 178170499
(2,6-difluorophenyl)methyl hypochlorite
CID 70312638
(2,6-difluorophenyl)methyl thiohypoiodite
CID 143620116
N-chloro-1-(2,6-difluorophenyl)methanamine
CID 126658076
1-(2,6-difluorophenyl)-3-methylbut-3-en-2-one
CID 115780969
(1E)-2-[(2,6-difluorophenyl)methoxy]-1-(methylideneamino)buta-1,3-dien-1-amine
CID 142983917
1,2-bis(bromomethyl)-3-fluorobenzene
CID 14111600
1,4-bis[(2,6-difluorophenyl)methyl]piperazine-1,4-diium
CID 6957083
(2,6-difluorophenyl)methyl-triethoxysilane
CID 146004962

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]methanimine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]methanimine (CID 142040914) is N-[(2,6-difluorophenyl)methyl]methanimine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]methanimine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]methanimine is C=NCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]methanimine?
The InChIKey is MFRUDGZKAQTIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N/c1-11-5-6-7(9)3-2-4-8(6)10/h2-4H,1,5H2.
What are the key properties of N-[(2,6-difluorophenyl)methyl]methanimine?
N-[(2,6-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-[(2,6-difluorophenyl)methyl]methanimine is sourced from PubChem (CID 142040914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).