2-fluoro-1-methyl-4-(3-nitrophenyl)benzene

C13H10FNO2 — CID 70699657

IUPAC2-fluoro-1-methyl-4-(3-nitrophenyl)benzene
SMILESCc1ccc(-c2cccc([N+](=O)[O-])c2)cc1F
InChIInChI=1S/C13H10FNO2/c1-9-5-6-11(8-13(9)14)10-3-2-4-12(7-10)15(16)17/h2-8H,1H3
InChIKeyRWJHWEWUPHBDAM-UHFFFAOYSA-N
MW231.23 g/mol
LogP3.71
Rot. Bonds2

About 2-fluoro-1-methyl-4-(3-nitrophenyl)benzene

2-fluoro-1-methyl-4-(3-nitrophenyl)benzene (PubChem CID 70699657) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-(3-nitrophenyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-(3-nitrophenyl)benzene
PubChem CID70699657
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name2-fluoro-1-methyl-4-(3-nitrophenyl)benzene
SMILESCc1ccc(-c2cccc([N+](=O)[O-])c2)cc1F
InChIInChI=1S/C13H10FNO2/c1-9-5-6-11(8-13(9)14)10-3-2-4-12(7-10)15(16)17/h2-8H,1H3
InChIKeyRWJHWEWUPHBDAM-UHFFFAOYSA-N
XLogP3.71
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

4-fluoro-2-methyl-1-(3-nitrophenyl)benzene
CID 57155248
2-(3-fluoro-4-methylphenyl)-4-nitrobenzoic acid
CID 53225568
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
1-(4-tert-butylphenyl)-3-nitrobenzene
CID 67097835
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
2,6-difluoro-3-(3-nitrophenyl)aniline
CID 165455760
8-fluoro-2,2,4-trimethyl-6-(3-nitrophenyl)-1H-quinoline
CID 23433644
1-nitro-3-[4-(trifluoromethyl)phenyl]benzene
CID 54368698
N-(3-fluoro-4-methylphenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 8541966
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
1-methyl-3-nitrobenzene
CID 7422
2-(3-fluoro-4-methylphenyl)-3-nitropyridine
CID 22106528

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-(3-nitrophenyl)benzene?
The IUPAC name of 2-fluoro-1-methyl-4-(3-nitrophenyl)benzene (CID 70699657) is 2-fluoro-1-methyl-4-(3-nitrophenyl)benzene.
What is the SMILES notation for 2-fluoro-1-methyl-4-(3-nitrophenyl)benzene?
The canonical SMILES for 2-fluoro-1-methyl-4-(3-nitrophenyl)benzene is Cc1ccc(-c2cccc([N+](=O)[O-])c2)cc1F.
What is the InChIKey of 2-fluoro-1-methyl-4-(3-nitrophenyl)benzene?
The InChIKey is RWJHWEWUPHBDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c1-9-5-6-11(8-13(9)14)10-3-2-4-12(7-10)15(16)17/h2-8H,1H3.
What are the key properties of 2-fluoro-1-methyl-4-(3-nitrophenyl)benzene?
2-fluoro-1-methyl-4-(3-nitrophenyl)benzene has a molecular weight of 231.23 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-4-(3-nitrophenyl)benzene is sourced from PubChem (CID 70699657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).