2,5-difluoro-N-(hydrazinylmethyl)-N-methylaniline

C8H11F2N3 — CID 115260602

IUPAC2,5-difluoro-N-(hydrazinylmethyl)-N-methylaniline
SMILESCN(CNN)c1cc(F)ccc1F
InChIInChI=1S/C8H11F2N3/c1-13(5-12-11)8-4-6(9)2-3-7(8)10/h2-4,12H,5,11H2,1H3
InChIKeyDFBQVIDHQYZTPJ-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.82
Rot. Bonds3

About 2,5-difluoro-N-(hydrazinylmethyl)-N-methylaniline

2,5-difluoro-N-(hydrazinylmethyl)-N-methylaniline (PubChem CID 115260602) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2,5-difluoro-N-(hydrazinylmethyl)-N-methylaniline.

Molecular Properties

Compound Name2,5-difluoro-N-(hydrazinylmethyl)-N-methylaniline
PubChem CID115260602
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name2,5-difluoro-N-(hydrazinylmethyl)-N-methylaniline
SMILESCN(CNN)c1cc(F)ccc1F
InChIInChI=1S/C8H11F2N3/c1-13(5-12-11)8-4-6(9)2-3-7(8)10/h2-4,12H,5,11H2,1H3
InChIKeyDFBQVIDHQYZTPJ-UHFFFAOYSA-N
XLogP0.82
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2,5-difluoro-N-methylanilino)methanethiol
CID 115227749
N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoro-N-methylaniline
CID 115213176
2,5-difluoro-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246121
2-[(2,5-difluoro-N-methylanilino)methyl]butan-1-ol
CID 115250646
5-chloro-N-ethyl-2-fluoro-N-methylaniline
CID 115259333
2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209874
N-[4-(aminomethyl)phenyl]-2,5-difluoro-N-methylaniline
CID 117041619
N-(2,5-difluorophenyl)-N-methyl-3-oxobutanamide
CID 115176272
N-(hydrazinylmethyl)-2-methoxy-N-methylaniline
CID 115260697
4-[(2,5-difluoro-N-methylanilino)methyl]cyclohexan-1-one
CID 115240084
N'-(2,4-difluorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 22052023
5-bromo-N-ethyl-2-fluoro-N-methylaniline
CID 115259359

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(hydrazinylmethyl)-N-methylaniline?
The IUPAC name of 2,5-difluoro-N-(hydrazinylmethyl)-N-methylaniline (CID 115260602) is 2,5-difluoro-N-(hydrazinylmethyl)-N-methylaniline.
What is the SMILES notation for 2,5-difluoro-N-(hydrazinylmethyl)-N-methylaniline?
The canonical SMILES for 2,5-difluoro-N-(hydrazinylmethyl)-N-methylaniline is CN(CNN)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(hydrazinylmethyl)-N-methylaniline?
The InChIKey is DFBQVIDHQYZTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c1-13(5-12-11)8-4-6(9)2-3-7(8)10/h2-4,12H,5,11H2,1H3.
What are the key properties of 2,5-difluoro-N-(hydrazinylmethyl)-N-methylaniline?
2,5-difluoro-N-(hydrazinylmethyl)-N-methylaniline has a molecular weight of 187.19 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(hydrazinylmethyl)-N-methylaniline is sourced from PubChem (CID 115260602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).