1-fluoro-2-methyl-4-[2-(4-nitrophenyl)ethyl]benzene

C15H14FNO2 — CID 71732228

IUPAC1-fluoro-2-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
SMILESCc1cc(CCc2ccc([N+](=O)[O-])cc2)ccc1F
InChIInChI=1S/C15H14FNO2/c1-11-10-13(6-9-15(11)16)3-2-12-4-7-14(8-5-12)17(18)19/h4-10H,2-3H2,1H3
InChIKeyMDROLJOTTRUXRY-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.83
Rot. Bonds4

About 1-fluoro-2-methyl-4-[2-(4-nitrophenyl)ethyl]benzene

1-fluoro-2-methyl-4-[2-(4-nitrophenyl)ethyl]benzene (PubChem CID 71732228) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-fluoro-2-methyl-4-[2-(4-nitrophenyl)ethyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
PubChem CID71732228
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name1-fluoro-2-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
SMILESCc1cc(CCc2ccc([N+](=O)[O-])cc2)ccc1F
InChIInChI=1S/C15H14FNO2/c1-11-10-13(6-9-15(11)16)3-2-12-4-7-14(8-5-12)17(18)19/h4-10H,2-3H2,1H3
InChIKeyMDROLJOTTRUXRY-UHFFFAOYSA-N
XLogP3.83
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.83
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

N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-nitrophenyl)methanamine
CID 60704987
1-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
CID 70154715
1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[(4-nitrophenyl)methyl]guanidine;hydroiodide
CID 111853517
N-[2-[(4-fluoro-3-methylphenyl)methylamino]ethyl]-4-nitrobenzenesulfonamide
CID 119121981
2-[(4-fluoro-3-methylphenyl)methylamino]-1-(4-nitrophenyl)propane-1,3-diol
CID 111629856
ethane;1-nitro-4-propylbenzene
CID 123575523
1-nitro-4-propylbenzene;propan-1-amine
CID 144859121
N-[(4-fluoro-3-methylphenyl)methyl]-3-nitrobenzenesulfonamide
CID 110779741
1-(4-nitrophenoxy)-4-[2-[4-(4-nitrophenoxy)phenyl]ethyl]benzene
CID 139816663
4-fluoro-3-methyl-N-[1-(4-nitrophenyl)ethyl]aniline
CID 62810884
N-[(4-fluoro-3-methylphenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 30238544
2-[1-bromo-2-(4-nitrophenyl)ethyl]-1-fluoro-4-methylbenzene
CID 63543288

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-4-[2-(4-nitrophenyl)ethyl]benzene?
The IUPAC name of 1-fluoro-2-methyl-4-[2-(4-nitrophenyl)ethyl]benzene (CID 71732228) is 1-fluoro-2-methyl-4-[2-(4-nitrophenyl)ethyl]benzene.
What is the SMILES notation for 1-fluoro-2-methyl-4-[2-(4-nitrophenyl)ethyl]benzene?
The canonical SMILES for 1-fluoro-2-methyl-4-[2-(4-nitrophenyl)ethyl]benzene is Cc1cc(CCc2ccc([N+](=O)[O-])cc2)ccc1F.
What is the InChIKey of 1-fluoro-2-methyl-4-[2-(4-nitrophenyl)ethyl]benzene?
The InChIKey is MDROLJOTTRUXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-11-10-13(6-9-15(11)16)3-2-12-4-7-14(8-5-12)17(18)19/h4-10H,2-3H2,1H3.
What are the key properties of 1-fluoro-2-methyl-4-[2-(4-nitrophenyl)ethyl]benzene?
1-fluoro-2-methyl-4-[2-(4-nitrophenyl)ethyl]benzene has a molecular weight of 259.28 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-4-[2-(4-nitrophenyl)ethyl]benzene is sourced from PubChem (CID 71732228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).