4-fluoro-5-methyl-2-nitro-N-prop-2-enylaniline

C10H11FN2O2 — CID 103591656

IUPAC4-fluoro-5-methyl-2-nitro-N-prop-2-enylaniline
SMILESC=CCNc1cc(C)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11FN2O2/c1-3-4-12-9-5-7(2)8(11)6-10(9)13(14)15/h3,5-6,12H,1,4H2,2H3
InChIKeyJJJULAZOENIMCU-UHFFFAOYSA-N
MW210.21 g/mol
LogP2.64
Rot. Bonds4

About 4-fluoro-5-methyl-2-nitro-N-prop-2-enylaniline

4-fluoro-5-methyl-2-nitro-N-prop-2-enylaniline (PubChem CID 103591656) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 4-fluoro-5-methyl-2-nitro-N-prop-2-enylaniline.

Molecular Properties

Compound Name4-fluoro-5-methyl-2-nitro-N-prop-2-enylaniline
PubChem CID103591656
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name4-fluoro-5-methyl-2-nitro-N-prop-2-enylaniline
SMILESC=CCNc1cc(C)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11FN2O2/c1-3-4-12-9-5-7(2)8(11)6-10(9)13(14)15/h3,5-6,12H,1,4H2,2H3
InChIKeyJJJULAZOENIMCU-UHFFFAOYSA-N
XLogP2.64
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-fluoro-2-nitro-N-prop-2-enylaniline
CID 116737100
4-fluoro-5-methyl-2-nitro-N-pent-4-en-2-ylaniline
CID 103591884
N'-(4-fluoro-5-methyl-2-nitrophenyl)-N-methylethane-1,2-diamine
CID 103594147
1-(4-fluoro-5-methyl-2-nitroanilino)-2-methylpropan-2-ol
CID 103591758
2-(4-fluoro-5-methyl-2-nitroanilino)acetamide
CID 103591433
(4-fluoro-5-methyl-2-nitrophenyl)hydrazine
CID 103591242
3-(4-fluoro-5-methyl-2-nitroanilino)propanoic acid
CID 103591110
N',N'-diethyl-N-(4-fluoro-5-methyl-2-nitrophenyl)propane-1,3-diamine
CID 103591456
2,2-difluoro-3-(4-fluoro-5-methyl-2-nitroanilino)propan-1-ol
CID 106177984
4-fluoro-5-methyl-2-nitro-N-(5,5,5-trifluoropentyl)aniline
CID 103591828
4-fluoro-5-methyl-N-(7-methyloctyl)-2-nitroaniline
CID 107816072
4-fluoro-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-2-nitroaniline
CID 103591637

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-2-nitro-N-prop-2-enylaniline?
The IUPAC name of 4-fluoro-5-methyl-2-nitro-N-prop-2-enylaniline (CID 103591656) is 4-fluoro-5-methyl-2-nitro-N-prop-2-enylaniline.
What is the SMILES notation for 4-fluoro-5-methyl-2-nitro-N-prop-2-enylaniline?
The canonical SMILES for 4-fluoro-5-methyl-2-nitro-N-prop-2-enylaniline is C=CCNc1cc(C)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-5-methyl-2-nitro-N-prop-2-enylaniline?
The InChIKey is JJJULAZOENIMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c1-3-4-12-9-5-7(2)8(11)6-10(9)13(14)15/h3,5-6,12H,1,4H2,2H3.
What are the key properties of 4-fluoro-5-methyl-2-nitro-N-prop-2-enylaniline?
4-fluoro-5-methyl-2-nitro-N-prop-2-enylaniline has a molecular weight of 210.21 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-2-nitro-N-prop-2-enylaniline is sourced from PubChem (CID 103591656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).