2,4-difluoro-N-[1-(4-fluorophenyl)ethyl]-5-nitroaniline

C14H11F3N2O2 — CID 43725174

IUPAC2,4-difluoro-N-[1-(4-fluorophenyl)ethyl]-5-nitroaniline
SMILESCC(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(F)cc1
InChIInChI=1S/C14H11F3N2O2/c1-8(9-2-4-10(15)5-3-9)18-13-7-14(19(20)21)12(17)6-11(13)16/h2-8,18H,1H3
InChIKeyMTQMJMANIHYRHG-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.19
Rot. Bonds4

About 2,4-difluoro-N-[1-(4-fluorophenyl)ethyl]-5-nitroaniline

2,4-difluoro-N-[1-(4-fluorophenyl)ethyl]-5-nitroaniline (PubChem CID 43725174) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 2,4-difluoro-N-[1-(4-fluorophenyl)ethyl]-5-nitroaniline.

Molecular Properties

Compound Name2,4-difluoro-N-[1-(4-fluorophenyl)ethyl]-5-nitroaniline
PubChem CID43725174
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name2,4-difluoro-N-[1-(4-fluorophenyl)ethyl]-5-nitroaniline
SMILESCC(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(F)cc1
InChIInChI=1S/C14H11F3N2O2/c1-8(9-2-4-10(15)5-3-9)18-13-7-14(19(20)21)12(17)6-11(13)16/h2-8,18H,1H3
InChIKeyMTQMJMANIHYRHG-UHFFFAOYSA-N
XLogP4.19
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.19
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

2,4-difluoro-5-nitro-N-(1-pyridin-4-ylethyl)aniline
CID 43725169
N-[1-(3-bromophenyl)ethyl]-2,4-difluoro-5-nitroaniline
CID 43725182
2,4-difluoro-N-[1-(4-methyl-3-nitrophenyl)ethyl]aniline
CID 43097830
N-[1-(5-bromofuran-2-yl)ethyl]-2,4-difluoro-5-nitroaniline
CID 104652554
3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-nitroaniline
CID 61226059
N-[1-(4-fluorophenyl)ethyl]-4-methyl-3-nitroaniline
CID 43425323
N-[1-(4-fluorophenyl)ethyl]-3-iodo-4-nitroaniline
CID 106493194
4-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-nitroaniline
CID 103591618
5-chloro-2-fluoro-N-[1-(4-nitrophenyl)ethyl]aniline
CID 43438216
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline
CID 30226768
2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylsulfonylaniline
CID 43717680
4-[1-(2,4-difluoro-6-nitroanilino)ethyl]phenol
CID 81304397

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[1-(4-fluorophenyl)ethyl]-5-nitroaniline?
The IUPAC name of 2,4-difluoro-N-[1-(4-fluorophenyl)ethyl]-5-nitroaniline (CID 43725174) is 2,4-difluoro-N-[1-(4-fluorophenyl)ethyl]-5-nitroaniline.
What is the SMILES notation for 2,4-difluoro-N-[1-(4-fluorophenyl)ethyl]-5-nitroaniline?
The canonical SMILES for 2,4-difluoro-N-[1-(4-fluorophenyl)ethyl]-5-nitroaniline is CC(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(F)cc1.
What is the InChIKey of 2,4-difluoro-N-[1-(4-fluorophenyl)ethyl]-5-nitroaniline?
The InChIKey is MTQMJMANIHYRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-8(9-2-4-10(15)5-3-9)18-13-7-14(19(20)21)12(17)6-11(13)16/h2-8,18H,1H3.
What are the key properties of 2,4-difluoro-N-[1-(4-fluorophenyl)ethyl]-5-nitroaniline?
2,4-difluoro-N-[1-(4-fluorophenyl)ethyl]-5-nitroaniline has a molecular weight of 296.25 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[1-(4-fluorophenyl)ethyl]-5-nitroaniline is sourced from PubChem (CID 43725174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).