4-bromo-5-fluoro-2-nitro-N-[1-(trifluoromethyl)cyclopropyl]aniline

C10H7BrF4N2O2 — CID 106215071

IUPAC4-bromo-5-fluoro-2-nitro-N-[1-(trifluoromethyl)cyclopropyl]aniline
SMILESO=[N+]([O-])c1cc(Br)c(F)cc1NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H7BrF4N2O2/c11-5-3-8(17(18)19)7(4-6(5)12)16-9(1-2-9)10(13,14)15/h3-4,16H,1-2H2
InChIKeyDGRDBGLMXUGOMS-UHFFFAOYSA-N
MW343.07 g/mol
LogP4.00
Rot. Bonds3

About 4-bromo-5-fluoro-2-nitro-N-[1-(trifluoromethyl)cyclopropyl]aniline

4-bromo-5-fluoro-2-nitro-N-[1-(trifluoromethyl)cyclopropyl]aniline (PubChem CID 106215071) has the molecular formula C10H7BrF4N2O2 and a molecular weight of 343.07 g/mol. Its IUPAC name is 4-bromo-5-fluoro-2-nitro-N-[1-(trifluoromethyl)cyclopropyl]aniline.

Molecular Properties

Compound Name4-bromo-5-fluoro-2-nitro-N-[1-(trifluoromethyl)cyclopropyl]aniline
PubChem CID106215071
Molecular FormulaC10H7BrF4N2O2
Molecular Weight343.07 g/mol
Exact Mass341.96
IUPAC Name4-bromo-5-fluoro-2-nitro-N-[1-(trifluoromethyl)cyclopropyl]aniline
SMILESO=[N+]([O-])c1cc(Br)c(F)cc1NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H7BrF4N2O2/c11-5-3-8(17(18)19)7(4-6(5)12)16-9(1-2-9)10(13,14)15/h3-4,16H,1-2H2
InChIKeyDGRDBGLMXUGOMS-UHFFFAOYSA-N
XLogP4.00
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.07
LogP ≤ 54.00
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-fluoro-5-nitro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzoic acid
CID 106213880
1-[(4-bromo-5-fluoro-2-nitroanilino)methyl]cyclopentan-1-ol
CID 66110483
4-bromo-N-cyclobutyl-5-fluoro-2-nitroaniline
CID 66111259
1-(5-bromo-4-fluoro-2-nitroanilino)cyclohexane-1-carboxylic acid
CID 116736603
1-[(4-bromo-5-fluoro-2-nitroanilino)methyl]cyclopentane-1-carboxylic acid
CID 115433287
5-bromo-4-fluoro-2-nitro-N-(2,2,2-trifluoroethyl)aniline
CID 116736900
4-bromo-N-(1-cyclopropylethyl)-5-fluoro-2-nitroaniline
CID 66111831
3-(4-bromo-5-fluoro-2-nitroanilino)-2,2-dimethylpropan-1-ol
CID 113294087
4-N-(4-bromo-5-fluoro-2-nitrophenyl)-1-N-methylcyclohexane-1,4-diamine
CID 79111160
3-methyl-5-nitro-N-[1-(trifluoromethyl)cyclopropyl]aniline
CID 106214906
1-N-(4-bromo-5-fluoro-2-nitrophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 66111840
N-(4-bromo-5-fluoro-2-nitrophenyl)-1,1-dioxothian-4-amine
CID 66109875

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-2-nitro-N-[1-(trifluoromethyl)cyclopropyl]aniline?
The IUPAC name of 4-bromo-5-fluoro-2-nitro-N-[1-(trifluoromethyl)cyclopropyl]aniline (CID 106215071) is 4-bromo-5-fluoro-2-nitro-N-[1-(trifluoromethyl)cyclopropyl]aniline.
What is the SMILES notation for 4-bromo-5-fluoro-2-nitro-N-[1-(trifluoromethyl)cyclopropyl]aniline?
The canonical SMILES for 4-bromo-5-fluoro-2-nitro-N-[1-(trifluoromethyl)cyclopropyl]aniline is O=[N+]([O-])c1cc(Br)c(F)cc1NC1(C(F)(F)F)CC1.
What is the InChIKey of 4-bromo-5-fluoro-2-nitro-N-[1-(trifluoromethyl)cyclopropyl]aniline?
The InChIKey is DGRDBGLMXUGOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF4N2O2/c11-5-3-8(17(18)19)7(4-6(5)12)16-9(1-2-9)10(13,14)15/h3-4,16H,1-2H2.
What are the key properties of 4-bromo-5-fluoro-2-nitro-N-[1-(trifluoromethyl)cyclopropyl]aniline?
4-bromo-5-fluoro-2-nitro-N-[1-(trifluoromethyl)cyclopropyl]aniline has a molecular weight of 343.07 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-2-nitro-N-[1-(trifluoromethyl)cyclopropyl]aniline is sourced from PubChem (CID 106215071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).