3,4-difluoro-N-methylaniline;methanimine

C8H10F2N2 — CID 144600669

IUPAC3,4-difluoro-N-methylaniline;methanimine
SMILESCNc1ccc(F)c(F)c1.[H]N=C
InChIInChI=1S/C7H7F2N.CH3N/c1-10-5-2-3-6(8)7(9)4-5;1-2/h2-4,10H,1H3;2H,1H2
InChIKeyVBGAUXHQVAASCA-UHFFFAOYSA-N
MW172.18 g/mol
LogP2.27
Rot. Bonds1

About 3,4-difluoro-N-methylaniline;methanimine

3,4-difluoro-N-methylaniline;methanimine (PubChem CID 144600669) has the molecular formula C8H10F2N2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 3,4-difluoro-N-methylaniline;methanimine.

Molecular Properties

Compound Name3,4-difluoro-N-methylaniline;methanimine
PubChem CID144600669
Molecular FormulaC8H10F2N2
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name3,4-difluoro-N-methylaniline;methanimine
SMILESCNc1ccc(F)c(F)c1.[H]N=C
InChIInChI=1S/C7H7F2N.CH3N/c1-10-5-2-3-6(8)7(9)4-5;1-2/h2-4,10H,1H3;2H,1H2
InChIKeyVBGAUXHQVAASCA-UHFFFAOYSA-N
XLogP2.27
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-difluoro-N-methylaniline;ethane
CID 143398651
3-fluoro-N-methyl-4-(trifluoromethyl)aniline;hydrochloride
CID 155973042
3-chloro-4-fluoro-N-methylaniline;ethane
CID 142993697
4-fluoro-3-(fluoromethyl)-N-methylaniline
CID 118176037
3-fluoro-4-methoxy-N-methylaniline
CID 21307269
[2-fluoro-4-(methylamino)phenyl]methanethiol
CID 176555737
3-(aminomethyl)-4-fluoro-N-methylaniline
CID 82502624
3,4-difluoro-N-methylsulfanylaniline
CID 123971541
3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43403537
4-fluoro-N-methyl-3-nitroaniline
CID 63089505
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
3-(cyclopropylamino)sulfanyl-4-fluoro-N-methylaniline
CID 177198660

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-methylaniline;methanimine?
The IUPAC name of 3,4-difluoro-N-methylaniline;methanimine (CID 144600669) is 3,4-difluoro-N-methylaniline;methanimine.
What is the SMILES notation for 3,4-difluoro-N-methylaniline;methanimine?
The canonical SMILES for 3,4-difluoro-N-methylaniline;methanimine is CNc1ccc(F)c(F)c1.[H]N=C.
What is the InChIKey of 3,4-difluoro-N-methylaniline;methanimine?
The InChIKey is VBGAUXHQVAASCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N.CH3N/c1-10-5-2-3-6(8)7(9)4-5;1-2/h2-4,10H,1H3;2H,1H2.
What are the key properties of 3,4-difluoro-N-methylaniline;methanimine?
3,4-difluoro-N-methylaniline;methanimine has a molecular weight of 172.18 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-methylaniline;methanimine is sourced from PubChem (CID 144600669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).