4-fluoro-N-[(5-fluoro-2-nitrophenyl)methyl]aniline

C13H10F2N2O2 — CID 43443560

IUPAC4-fluoro-N-[(5-fluoro-2-nitrophenyl)methyl]aniline
SMILESO=[N+]([O-])c1ccc(F)cc1CNc1ccc(F)cc1
InChIInChI=1S/C13H10F2N2O2/c14-10-1-4-12(5-2-10)16-8-9-7-11(15)3-6-13(9)17(18)19/h1-7,16H,8H2
InChIKeyRGHKDLXAJMXHOB-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.49
Rot. Bonds4

About 4-fluoro-N-[(5-fluoro-2-nitrophenyl)methyl]aniline

4-fluoro-N-[(5-fluoro-2-nitrophenyl)methyl]aniline (PubChem CID 43443560) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 4-fluoro-N-[(5-fluoro-2-nitrophenyl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(5-fluoro-2-nitrophenyl)methyl]aniline
PubChem CID43443560
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name4-fluoro-N-[(5-fluoro-2-nitrophenyl)methyl]aniline
SMILESO=[N+]([O-])c1ccc(F)cc1CNc1ccc(F)cc1
InChIInChI=1S/C13H10F2N2O2/c14-10-1-4-12(5-2-10)16-8-9-7-11(15)3-6-13(9)17(18)19/h1-7,16H,8H2
InChIKeyRGHKDLXAJMXHOB-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

3,4-difluoro-N-[(5-fluoro-2-nitrophenyl)methyl]aniline
CID 43443548
3-fluoro-N-[(5-fluoro-2-nitrophenyl)methyl]-4-methylaniline
CID 43443574
N-[(5-fluoro-2-nitrophenyl)methyl]-1,3-benzodioxol-5-amine
CID 43443589
N-[(5-fluoro-2-nitrophenyl)methyl]-2,6-dimethylaniline
CID 62332074
N-[(5-fluoro-2-nitrophenyl)methyl]ethanamine
CID 43443488
N-[(2,5-difluorophenyl)methyl]-1-(5-fluoro-2-nitrophenyl)methanamine
CID 63796050
N-[(5-fluoro-2-nitrophenyl)methyl]-2-iodoaniline
CID 43443611
2-bromo-4,6-difluoro-N-[(5-fluoro-2-nitrophenyl)methyl]aniline
CID 43443621
1-N-[(2-bromo-5-fluorophenyl)methyl]-4-nitrobenzene-1,3-diamine
CID 106749067
N-[(2,4-difluorophenyl)methyl]-4-fluoro-3-nitroaniline
CID 43719245
N-[(5-fluoro-2-nitrophenyl)methyl]-2-methylpropan-1-amine
CID 43443500
N-[(5-fluoro-2-nitrophenyl)methyl]-1-phenylmethanamine
CID 43443505

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(5-fluoro-2-nitrophenyl)methyl]aniline?
The IUPAC name of 4-fluoro-N-[(5-fluoro-2-nitrophenyl)methyl]aniline (CID 43443560) is 4-fluoro-N-[(5-fluoro-2-nitrophenyl)methyl]aniline.
What is the SMILES notation for 4-fluoro-N-[(5-fluoro-2-nitrophenyl)methyl]aniline?
The canonical SMILES for 4-fluoro-N-[(5-fluoro-2-nitrophenyl)methyl]aniline is O=[N+]([O-])c1ccc(F)cc1CNc1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(5-fluoro-2-nitrophenyl)methyl]aniline?
The InChIKey is RGHKDLXAJMXHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-10-1-4-12(5-2-10)16-8-9-7-11(15)3-6-13(9)17(18)19/h1-7,16H,8H2.
What are the key properties of 4-fluoro-N-[(5-fluoro-2-nitrophenyl)methyl]aniline?
4-fluoro-N-[(5-fluoro-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 4-fluoro-N-[(5-fluoro-2-nitrophenyl)methyl]aniline is sourced from PubChem (CID 43443560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).