3-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline

C15H14F2N2O2 — CID 114830485

IUPAC3-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline
SMILESCC(Cc1ccccc1F)Nc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C15H14F2N2O2/c1-10(8-11-4-2-3-5-13(11)16)18-12-6-7-15(19(20)21)14(17)9-12/h2-7,9-10,18H,8H2,1H3
InChIKeyPFIQXMISCAURBC-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.92
Rot. Bonds5

About 3-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline

3-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline (PubChem CID 114830485) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline.

Molecular Properties

Compound Name3-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline
PubChem CID114830485
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name3-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline
SMILESCC(Cc1ccccc1F)Nc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C15H14F2N2O2/c1-10(8-11-4-2-3-5-13(11)16)18-12-6-7-15(19(20)21)14(17)9-12/h2-7,9-10,18H,8H2,1H3
InChIKeyPFIQXMISCAURBC-UHFFFAOYSA-N
XLogP3.92
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.92
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-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline
CID 114829049
3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline
CID 114827877
N-[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]acetamide
CID 114827852
N-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline
CID 114828426
[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]methanol
CID 114830703
3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-4-nitroaniline
CID 114830588
N-[1-(2-fluorophenyl)propan-2-yl]-4-propan-2-yloxyaniline
CID 114828418
5-[1-(3-fluoro-4-nitroanilino)ethyl]benzene-1,3-diol
CID 107707016
4-(difluoromethoxy)-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828280
N-[1-(2-fluorophenyl)ethyl]-3-methyl-4-nitroaniline
CID 60970463
2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828434
N-[1-(2-fluorophenyl)propan-2-yl]-2-methyl-1,3-benzoxazol-5-amine
CID 114828353

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline?
The IUPAC name of 3-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline (CID 114830485) is 3-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline.
What is the SMILES notation for 3-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline?
The canonical SMILES for 3-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline is CC(Cc1ccccc1F)Nc1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of 3-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline?
The InChIKey is PFIQXMISCAURBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-10(8-11-4-2-3-5-13(11)16)18-12-6-7-15(19(20)21)14(17)9-12/h2-7,9-10,18H,8H2,1H3.
What are the key properties of 3-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline?
3-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline has a molecular weight of 292.29 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline is sourced from PubChem (CID 114830485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).