2,5-difluoro-N-[(2-nitrophenyl)methyl]aniline

C13H10F2N2O2 — CID 28574528

IUPAC2,5-difluoro-N-[(2-nitrophenyl)methyl]aniline
SMILESO=[N+]([O-])c1ccccc1CNc1cc(F)ccc1F
InChIInChI=1S/C13H10F2N2O2/c14-10-5-6-11(15)12(7-10)16-8-9-3-1-2-4-13(9)17(18)19/h1-7,16H,8H2
InChIKeyILMSQAJTMAEKTD-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.49
Rot. Bonds4

About 2,5-difluoro-N-[(2-nitrophenyl)methyl]aniline

2,5-difluoro-N-[(2-nitrophenyl)methyl]aniline (PubChem CID 28574528) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 2,5-difluoro-N-[(2-nitrophenyl)methyl]aniline.

Molecular Properties

Compound Name2,5-difluoro-N-[(2-nitrophenyl)methyl]aniline
PubChem CID28574528
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name2,5-difluoro-N-[(2-nitrophenyl)methyl]aniline
SMILESO=[N+]([O-])c1ccccc1CNc1cc(F)ccc1F
InChIInChI=1S/C13H10F2N2O2/c14-10-5-6-11(15)12(7-10)16-8-9-3-1-2-4-13(9)17(18)19/h1-7,16H,8H2
InChIKeyILMSQAJTMAEKTD-UHFFFAOYSA-N
XLogP3.49
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-fluoro-N-[(2-nitrophenyl)methyl]aniline
CID 43555271
4-fluoro-N-[(2-fluorophenyl)methyl]-2-nitroaniline
CID 43218044
3,4,5-trifluoro-N-[(2-nitrophenyl)methyl]aniline
CID 62811341
5-chloro-2-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]aniline
CID 43509081
2-fluoro-N-[(2-fluoro-3-nitrophenyl)methyl]-5-methylaniline
CID 107348912
2-fluoro-N-[(2-fluoro-3-nitrophenyl)methyl]aniline
CID 107348870
N-[(5-fluoro-2-nitrophenyl)methyl]-2-iodoaniline
CID 43443611
N-[(2,5-difluorophenyl)methyl]-2-(2-nitrophenyl)ethanamine
CID 63793575
4-fluoro-5-methoxy-2-nitro-N-[(2-nitrophenyl)methyl]aniline
CID 133374248
N-[(2,4-difluorophenyl)methyl]-2,4-difluoro-5-nitroaniline
CID 43725093
2-ethyl-N-[(2-nitrophenyl)methyl]aniline
CID 28583356
5-bromo-2-fluoro-N-[2-(2-nitrophenyl)ethyl]aniline
CID 63062280

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(2-nitrophenyl)methyl]aniline?
The IUPAC name of 2,5-difluoro-N-[(2-nitrophenyl)methyl]aniline (CID 28574528) is 2,5-difluoro-N-[(2-nitrophenyl)methyl]aniline.
What is the SMILES notation for 2,5-difluoro-N-[(2-nitrophenyl)methyl]aniline?
The canonical SMILES for 2,5-difluoro-N-[(2-nitrophenyl)methyl]aniline is O=[N+]([O-])c1ccccc1CNc1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[(2-nitrophenyl)methyl]aniline?
The InChIKey is ILMSQAJTMAEKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-10-5-6-11(15)12(7-10)16-8-9-3-1-2-4-13(9)17(18)19/h1-7,16H,8H2.
What are the key properties of 2,5-difluoro-N-[(2-nitrophenyl)methyl]aniline?
2,5-difluoro-N-[(2-nitrophenyl)methyl]aniline has a molecular weight of 264.23 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(2-nitrophenyl)methyl]aniline is sourced from PubChem (CID 28574528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).