5-chloro-2-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)aniline

C10H9ClF4N2O2 — CID 106293604

IUPAC5-chloro-2-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)aniline
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NCC(F)(F)C(F)F
InChIInChI=1S/C10H9ClF4N2O2/c1-5-2-8(17(18)19)6(11)3-7(5)16-4-10(14,15)9(12)13/h2-3,9,16H,4H2,1H3
InChIKeyGEALIPUONVYBBV-UHFFFAOYSA-N
MW300.64 g/mol
LogP3.87
Rot. Bonds5

About 5-chloro-2-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)aniline

5-chloro-2-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)aniline (PubChem CID 106293604) has the molecular formula C10H9ClF4N2O2 and a molecular weight of 300.64 g/mol. Its IUPAC name is 5-chloro-2-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)aniline.

Molecular Properties

Compound Name5-chloro-2-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)aniline
PubChem CID106293604
Molecular FormulaC10H9ClF4N2O2
Molecular Weight300.64 g/mol
Exact Mass300.03
IUPAC Name5-chloro-2-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)aniline
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NCC(F)(F)C(F)F
InChIInChI=1S/C10H9ClF4N2O2/c1-5-2-8(17(18)19)6(11)3-7(5)16-4-10(14,15)9(12)13/h2-3,9,16H,4H2,1H3
InChIKeyGEALIPUONVYBBV-UHFFFAOYSA-N
XLogP3.87
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.64
LogP ≤ 53.87
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(5-chloro-2-methyl-4-nitrophenyl)-N-methylethane-1,2-diamine
CID 115556069
2-[(5-chloro-2-methyl-4-nitroanilino)methyl]-2-ethylbutan-1-ol
CID 104667993
3-(5-chloro-2-methyl-4-nitroanilino)-N,2,2-trimethylpropanamide
CID 106278223
5-(5-chloro-2-methyl-4-nitroanilino)-4,4-dimethylpentan-1-ol
CID 106145084
5-chloro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-nitroaniline
CID 102913843
5-chloro-N-(2-methoxypropyl)-2-methyl-4-nitroaniline
CID 102698897
1-[2-(5-chloro-2-methyl-4-nitroanilino)ethylamino]propan-2-ol
CID 104594409
N-(5-chloro-2-methyl-4-nitrophenyl)-2,2,2-trifluoroacetamide
CID 17334923
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methyl-4-nitroaniline
CID 104667866
5-chloro-2-methyl-4-nitro-N-(2-phenylethyl)aniline
CID 115555657
2-nitro-N-(2,2,3,3-tetrafluoropropyl)-4-(trifluoromethyl)aniline
CID 106293843
2-(5-chloro-2-methyl-4-nitroanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107849353

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)aniline?
The IUPAC name of 5-chloro-2-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)aniline (CID 106293604) is 5-chloro-2-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)aniline.
What is the SMILES notation for 5-chloro-2-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)aniline?
The canonical SMILES for 5-chloro-2-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)aniline is Cc1cc([N+](=O)[O-])c(Cl)cc1NCC(F)(F)C(F)F.
What is the InChIKey of 5-chloro-2-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)aniline?
The InChIKey is GEALIPUONVYBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF4N2O2/c1-5-2-8(17(18)19)6(11)3-7(5)16-4-10(14,15)9(12)13/h2-3,9,16H,4H2,1H3.
What are the key properties of 5-chloro-2-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)aniline?
5-chloro-2-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)aniline has a molecular weight of 300.64 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)aniline is sourced from PubChem (CID 106293604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).