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

C13H10F2N2O2 — CID 28574524

IUPAC2,5-difluoro-N-[(4-nitrophenyl)methyl]aniline
SMILESO=[N+]([O-])c1ccc(CNc2cc(F)ccc2F)cc1
InChIInChI=1S/C13H10F2N2O2/c14-10-3-6-12(15)13(7-10)16-8-9-1-4-11(5-2-9)17(18)19/h1-7,16H,8H2
InChIKeyPFQQMBVLLNWSBC-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.49
Rot. Bonds4

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

2,5-difluoro-N-[(4-nitrophenyl)methyl]aniline (PubChem CID 28574524) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 2,5-difluoro-N-[(4-nitrophenyl)methyl]aniline.

Molecular Properties

Compound Name2,5-difluoro-N-[(4-nitrophenyl)methyl]aniline
PubChem CID28574524
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name2,5-difluoro-N-[(4-nitrophenyl)methyl]aniline
SMILESO=[N+]([O-])c1ccc(CNc2cc(F)ccc2F)cc1
InChIInChI=1S/C13H10F2N2O2/c14-10-3-6-12(15)13(7-10)16-8-9-1-4-11(5-2-9)17(18)19/h1-7,16H,8H2
InChIKeyPFQQMBVLLNWSBC-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

2,3,4-trifluoro-N-[(4-nitrophenyl)methyl]aniline
CID 28574355
4-fluoro-N-[(4-nitrophenyl)methyl]-2-(trifluoromethylsulfonyl)aniline
CID 133283796
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-5-nitroaniline
CID 43719036
2-fluoro-4-[(2-fluoro-5-nitroanilino)methyl]phenol
CID 107685495
N-[(4-chlorophenyl)methyl]-4-fluoro-2-nitroaniline
CID 14952976
2,3,5,6-tetrafluoro-N-[(4-nitrophenyl)methyl]aniline
CID 107643575
2,5-difluoro-N-[(2-methoxy-5-nitrophenyl)methyl]aniline
CID 43212590
N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline
CID 115213122
[4-[(2,5-difluoroanilino)methyl]phenyl]methanol
CID 110006440
N-[(3,4-difluorophenyl)methyl]-4-nitroaniline
CID 43425353
4-[(2,5-difluoroanilino)methyl]benzoic acid
CID 55049553
2-chloro-4,6-difluoro-N-[(4-nitrophenyl)methyl]aniline
CID 82890271

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(4-nitrophenyl)methyl]aniline?
The IUPAC name of 2,5-difluoro-N-[(4-nitrophenyl)methyl]aniline (CID 28574524) is 2,5-difluoro-N-[(4-nitrophenyl)methyl]aniline.
What is the SMILES notation for 2,5-difluoro-N-[(4-nitrophenyl)methyl]aniline?
The canonical SMILES for 2,5-difluoro-N-[(4-nitrophenyl)methyl]aniline is O=[N+]([O-])c1ccc(CNc2cc(F)ccc2F)cc1.
What is the InChIKey of 2,5-difluoro-N-[(4-nitrophenyl)methyl]aniline?
The InChIKey is PFQQMBVLLNWSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-10-3-6-12(15)13(7-10)16-8-9-1-4-11(5-2-9)17(18)19/h1-7,16H,8H2.
What are the key properties of 2,5-difluoro-N-[(4-nitrophenyl)methyl]aniline?
2,5-difluoro-N-[(4-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-[(4-nitrophenyl)methyl]aniline is sourced from PubChem (CID 28574524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).