2-fluoro-1-nitro-3-propan-2-ylbenzene

C9H10FNO2 — CID 59860466

IUPAC2-fluoro-1-nitro-3-propan-2-ylbenzene
SMILESCC(C)c1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C9H10FNO2/c1-6(2)7-4-3-5-8(9(7)10)11(12)13/h3-6H,1-2H3
InChIKeyOCJXOPNZHPMZKV-UHFFFAOYSA-N
MW183.18 g/mol
LogP2.86
Rot. Bonds2

About 2-fluoro-1-nitro-3-propan-2-ylbenzene

2-fluoro-1-nitro-3-propan-2-ylbenzene (PubChem CID 59860466) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 2-fluoro-1-nitro-3-propan-2-ylbenzene.

Molecular Properties

Compound Name2-fluoro-1-nitro-3-propan-2-ylbenzene
PubChem CID59860466
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name2-fluoro-1-nitro-3-propan-2-ylbenzene
SMILESCC(C)c1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C9H10FNO2/c1-6(2)7-4-3-5-8(9(7)10)11(12)13/h3-6H,1-2H3
InChIKeyOCJXOPNZHPMZKV-UHFFFAOYSA-N
XLogP2.86
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 52.86
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

1-(difluoromethyl)-2-fluoro-3-nitrobenzene
CID 46311780
1,2-dinitro-3-propan-2-ylbenzene
CID 14670542
2-fluoro-3-nitrobenzenethiol
CID 150966196
3-chloro-1-(2-fluoro-3-nitrophenyl)propane-1,2-diol
CID 171862483
N-(2-nitro-6-propan-2-ylphenyl)acetamide
CID 45074590
3-nitro-2-(2-propan-2-ylphenyl)phenol
CID 150628369
(1S)-1-(2-chlorophenyl)-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 107349336
1-ethyl-2-fluoro-3-propan-2-ylbenzene
CID 54146426
2-[(2-fluoro-3-nitrophenyl)methylamino]propan-1-ol
CID 107348946
1-(bromomethyl)-2-fluoro-3-nitrobenzene
CID 59139151
2-fluoro-N,N-dimethyl-3-nitroaniline
CID 131699647
(1S)-1-(2-methyl-3-nitrophenyl)ethanamine
CID 96955479

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-nitro-3-propan-2-ylbenzene?
The IUPAC name of 2-fluoro-1-nitro-3-propan-2-ylbenzene (CID 59860466) is 2-fluoro-1-nitro-3-propan-2-ylbenzene.
What is the SMILES notation for 2-fluoro-1-nitro-3-propan-2-ylbenzene?
The canonical SMILES for 2-fluoro-1-nitro-3-propan-2-ylbenzene is CC(C)c1cccc([N+](=O)[O-])c1F.
What is the InChIKey of 2-fluoro-1-nitro-3-propan-2-ylbenzene?
The InChIKey is OCJXOPNZHPMZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-6(2)7-4-3-5-8(9(7)10)11(12)13/h3-6H,1-2H3.
What are the key properties of 2-fluoro-1-nitro-3-propan-2-ylbenzene?
2-fluoro-1-nitro-3-propan-2-ylbenzene has a molecular weight of 183.18 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-nitro-3-propan-2-ylbenzene is sourced from PubChem (CID 59860466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).