4-fluoro-N-[(2-fluorophenyl)methyl]-2-nitroaniline

C13H10F2N2O2 — CID 43218044

IUPAC4-fluoro-N-[(2-fluorophenyl)methyl]-2-nitroaniline
SMILESO=[N+]([O-])c1cc(F)ccc1NCc1ccccc1F
InChIInChI=1S/C13H10F2N2O2/c14-10-5-6-12(13(7-10)17(18)19)16-8-9-3-1-2-4-11(9)15/h1-7,16H,8H2
InChIKeyKAUTWFXOQLKQKY-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.49
Rot. Bonds4

About 4-fluoro-N-[(2-fluorophenyl)methyl]-2-nitroaniline

4-fluoro-N-[(2-fluorophenyl)methyl]-2-nitroaniline (PubChem CID 43218044) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 4-fluoro-N-[(2-fluorophenyl)methyl]-2-nitroaniline.

Molecular Properties

Compound Name4-fluoro-N-[(2-fluorophenyl)methyl]-2-nitroaniline
PubChem CID43218044
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name4-fluoro-N-[(2-fluorophenyl)methyl]-2-nitroaniline
SMILESO=[N+]([O-])c1cc(F)ccc1NCc1ccccc1F
InChIInChI=1S/C13H10F2N2O2/c14-10-5-6-12(13(7-10)17(18)19)16-8-9-3-1-2-4-11(9)15/h1-7,16H,8H2
InChIKeyKAUTWFXOQLKQKY-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

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CID 9112520
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N-[(4-chlorophenyl)methyl]-4-fluoro-2-nitroaniline
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4-chloro-N-[(2,3-difluorophenyl)methyl]-2-nitroaniline
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2,6-difluoro-4-[(4-fluoro-2-nitroanilino)methyl]phenol
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4-fluoro-N-(furan-2-ylmethyl)-2-nitroaniline
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N-[(2-fluorophenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline
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N-[(2,4-difluorophenyl)methyl]-2,4-difluoro-5-nitroaniline
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2-fluoro-4-[(4-fluoro-2-nitroanilino)methyl]phenol
CID 103680801
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CID 66101826

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-fluorophenyl)methyl]-2-nitroaniline?
The IUPAC name of 4-fluoro-N-[(2-fluorophenyl)methyl]-2-nitroaniline (CID 43218044) is 4-fluoro-N-[(2-fluorophenyl)methyl]-2-nitroaniline.
What is the SMILES notation for 4-fluoro-N-[(2-fluorophenyl)methyl]-2-nitroaniline?
The canonical SMILES for 4-fluoro-N-[(2-fluorophenyl)methyl]-2-nitroaniline is O=[N+]([O-])c1cc(F)ccc1NCc1ccccc1F.
What is the InChIKey of 4-fluoro-N-[(2-fluorophenyl)methyl]-2-nitroaniline?
The InChIKey is KAUTWFXOQLKQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-10-5-6-12(13(7-10)17(18)19)16-8-9-3-1-2-4-11(9)15/h1-7,16H,8H2.
What are the key properties of 4-fluoro-N-[(2-fluorophenyl)methyl]-2-nitroaniline?
4-fluoro-N-[(2-fluorophenyl)methyl]-2-nitroaniline 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-[(2-fluorophenyl)methyl]-2-nitroaniline is sourced from PubChem (CID 43218044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).