1-fluoro-3-(2-nitropropyl)benzene

C9H10FNO2 — CID 24721350

IUPAC1-fluoro-3-(2-nitropropyl)benzene
SMILESCC(Cc1cccc(F)c1)[N+](=O)[O-]
InChIInChI=1S/C9H10FNO2/c1-7(11(12)13)5-8-3-2-4-9(10)6-8/h2-4,6-7H,5H2,1H3
InChIKeyNXGIKCJJNVPHHY-UHFFFAOYSA-N
MW183.18 g/mol
LogP2.03
Rot. Bonds3

About 1-fluoro-3-(2-nitropropyl)benzene

1-fluoro-3-(2-nitropropyl)benzene (PubChem CID 24721350) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 1-fluoro-3-(2-nitropropyl)benzene.

Molecular Properties

Compound Name1-fluoro-3-(2-nitropropyl)benzene
PubChem CID24721350
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name1-fluoro-3-(2-nitropropyl)benzene
SMILESCC(Cc1cccc(F)c1)[N+](=O)[O-]
InChIInChI=1S/C9H10FNO2/c1-7(11(12)13)5-8-3-2-4-9(10)6-8/h2-4,6-7H,5H2,1H3
InChIKeyNXGIKCJJNVPHHY-UHFFFAOYSA-N
XLogP2.03
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 52.03
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

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CID 11629694
ethane;1-fluoro-3-(2-methylpropyl)benzene
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2-[(3-fluorophenyl)methyl]-4-methylpentanal
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1-(2-ethyl-3-methylbutyl)-3-fluorobenzene
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4-(3-fluorophenyl)-2,3-dimethylbutanoic acid
CID 81008506
4-[1-(3-fluorophenyl)propan-2-ylamino]-3-nitrophenol
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1-(2,2-dibromoethyl)-3-fluorobenzene
CID 89414969
2-[1-(3-fluorophenyl)propan-2-ylamino]-5-nitrobenzonitrile
CID 133307142
5-(3-fluorophenyl)-4-methylpentan-2-amine
CID 64719620
1-(3-bromo-2-ethylbutyl)-3-fluorobenzene
CID 63471794
propan-2-yl (2S)-2-amino-3-(3-fluorophenyl)propanoate
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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(2-nitropropyl)benzene?
The IUPAC name of 1-fluoro-3-(2-nitropropyl)benzene (CID 24721350) is 1-fluoro-3-(2-nitropropyl)benzene.
What is the SMILES notation for 1-fluoro-3-(2-nitropropyl)benzene?
The canonical SMILES for 1-fluoro-3-(2-nitropropyl)benzene is CC(Cc1cccc(F)c1)[N+](=O)[O-].
What is the InChIKey of 1-fluoro-3-(2-nitropropyl)benzene?
The InChIKey is NXGIKCJJNVPHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-7(11(12)13)5-8-3-2-4-9(10)6-8/h2-4,6-7H,5H2,1H3.
What are the key properties of 1-fluoro-3-(2-nitropropyl)benzene?
1-fluoro-3-(2-nitropropyl)benzene has a molecular weight of 183.18 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(2-nitropropyl)benzene is sourced from PubChem (CID 24721350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).