2,6-difluoro-N-[1-(2-fluorophenyl)ethyl]-4-nitroaniline

C14H11F3N2O2 — CID 103828365

IUPAC2,6-difluoro-N-[1-(2-fluorophenyl)ethyl]-4-nitroaniline
SMILESCC(Nc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1F
InChIInChI=1S/C14H11F3N2O2/c1-8(10-4-2-3-5-11(10)15)18-14-12(16)6-9(19(20)21)7-13(14)17/h2-8,18H,1H3
InChIKeyMJWKXQTXRPMVBU-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.19
Rot. Bonds4

About 2,6-difluoro-N-[1-(2-fluorophenyl)ethyl]-4-nitroaniline

2,6-difluoro-N-[1-(2-fluorophenyl)ethyl]-4-nitroaniline (PubChem CID 103828365) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 2,6-difluoro-N-[1-(2-fluorophenyl)ethyl]-4-nitroaniline.

Molecular Properties

Compound Name2,6-difluoro-N-[1-(2-fluorophenyl)ethyl]-4-nitroaniline
PubChem CID103828365
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name2,6-difluoro-N-[1-(2-fluorophenyl)ethyl]-4-nitroaniline
SMILESCC(Nc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1F
InChIInChI=1S/C14H11F3N2O2/c1-8(10-4-2-3-5-11(10)15)18-14-12(16)6-9(19(20)21)7-13(14)17/h2-8,18H,1H3
InChIKeyMJWKXQTXRPMVBU-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

2,6-dichloro-N-[1-(2-fluorophenyl)ethyl]-4-nitroaniline
CID 106891498
N-[1-(2-fluorophenyl)ethyl]-3-methyl-5-nitroaniline
CID 115981308
N-[1-(2-fluorophenyl)ethyl]-2-methoxy-4-nitroaniline
CID 43720078
N-[1-(2-fluorophenyl)ethyl]-2-methoxy-5-nitroaniline
CID 43717791
N-[1-(2-fluorophenyl)ethyl]-3-methyl-4-nitroaniline
CID 60970463
N-but-3-en-2-yl-2,6-difluoro-4-nitroaniline
CID 103828733
N-[1-(2-fluorophenyl)ethyl]-6-nitropyridin-3-amine
CID 60631383
2,6-difluoro-4-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]aniline
CID 103943095
3-N-[1-(2-fluorophenyl)ethyl]-2-nitrobenzene-1,3-diamine
CID 80802207
(2S)-2-(2,6-difluoro-4-nitroanilino)-3-methylbutanoic acid
CID 120964334
2,6-difluoro-4-nitro-N-pent-4-yn-2-ylaniline
CID 103828692
2,6-difluoro-N-(1-methylsulfonylpropan-2-yl)-4-nitroaniline
CID 103828624

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[1-(2-fluorophenyl)ethyl]-4-nitroaniline?
The IUPAC name of 2,6-difluoro-N-[1-(2-fluorophenyl)ethyl]-4-nitroaniline (CID 103828365) is 2,6-difluoro-N-[1-(2-fluorophenyl)ethyl]-4-nitroaniline.
What is the SMILES notation for 2,6-difluoro-N-[1-(2-fluorophenyl)ethyl]-4-nitroaniline?
The canonical SMILES for 2,6-difluoro-N-[1-(2-fluorophenyl)ethyl]-4-nitroaniline is CC(Nc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1F.
What is the InChIKey of 2,6-difluoro-N-[1-(2-fluorophenyl)ethyl]-4-nitroaniline?
The InChIKey is MJWKXQTXRPMVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-8(10-4-2-3-5-11(10)15)18-14-12(16)6-9(19(20)21)7-13(14)17/h2-8,18H,1H3.
What are the key properties of 2,6-difluoro-N-[1-(2-fluorophenyl)ethyl]-4-nitroaniline?
2,6-difluoro-N-[1-(2-fluorophenyl)ethyl]-4-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 2,6-difluoro-N-[1-(2-fluorophenyl)ethyl]-4-nitroaniline is sourced from PubChem (CID 103828365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).