1-fluoro-2-nitro-3-propan-2-yloxybenzene

C9H10FNO3 — CID 53255569

IUPAC1-fluoro-2-nitro-3-propan-2-yloxybenzene
SMILESCC(C)Oc1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C9H10FNO3/c1-6(2)14-8-5-3-4-7(10)9(8)11(12)13/h3-6H,1-2H3
InChIKeySQFMAXPRBZQIIL-UHFFFAOYSA-N
MW199.18 g/mol
LogP2.52
Rot. Bonds3

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

1-fluoro-2-nitro-3-propan-2-yloxybenzene (PubChem CID 53255569) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is 1-fluoro-2-nitro-3-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-fluoro-2-nitro-3-propan-2-yloxybenzene
PubChem CID53255569
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name1-fluoro-2-nitro-3-propan-2-yloxybenzene
SMILESCC(C)Oc1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C9H10FNO3/c1-6(2)14-8-5-3-4-7(10)9(8)11(12)13/h3-6H,1-2H3
InChIKeySQFMAXPRBZQIIL-UHFFFAOYSA-N
XLogP2.52
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-fluoro-2-nitro-3-(1-phenylethoxy)benzene
CID 62664890
1-fluoro-2-nitro-3-(4-propan-2-ylphenoxy)benzene
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1-[1-(2,3-dinitrophenoxy)ethoxy]-2,3-dinitrobenzene
CID 154083486
1-fluoro-3-(2-methoxyethoxy)-2-nitrobenzene
CID 53255561
1-fluoro-3-(4-methoxyphenoxy)-2-nitrobenzene
CID 62663819
3-(2-nitro-3-propan-2-yloxyphenyl)sulfanylphenol
CID 104590911
ethyl 3-(2-nitro-3-propan-2-yloxyphenyl)-2-oxopropanoate
CID 11208654
1-fluoro-2-nitro-3-octoxybenzene
CID 63504973
1-(3,3-dimethylbutoxy)-3-fluoro-2-nitrobenzene
CID 66233603
1-but-2-enoxy-3-fluoro-2-nitrobenzene
CID 76948199
2-(3-fluoro-2-nitrophenoxy)-1,3,4-trimethylbenzene
CID 62663992
4-(2-nitro-3-propan-2-yloxyanilino)butan-1-ol
CID 106842771

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-nitro-3-propan-2-yloxybenzene?
The IUPAC name of 1-fluoro-2-nitro-3-propan-2-yloxybenzene (CID 53255569) is 1-fluoro-2-nitro-3-propan-2-yloxybenzene.
What is the SMILES notation for 1-fluoro-2-nitro-3-propan-2-yloxybenzene?
The canonical SMILES for 1-fluoro-2-nitro-3-propan-2-yloxybenzene is CC(C)Oc1cccc(F)c1[N+](=O)[O-].
What is the InChIKey of 1-fluoro-2-nitro-3-propan-2-yloxybenzene?
The InChIKey is SQFMAXPRBZQIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c1-6(2)14-8-5-3-4-7(10)9(8)11(12)13/h3-6H,1-2H3.
What are the key properties of 1-fluoro-2-nitro-3-propan-2-yloxybenzene?
1-fluoro-2-nitro-3-propan-2-yloxybenzene has a molecular weight of 199.18 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-nitro-3-propan-2-yloxybenzene is sourced from PubChem (CID 53255569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).