1-fluoro-2-nitro-3-(4-propan-2-ylphenoxy)benzene

C15H14FNO3 — CID 62662926

IUPAC1-fluoro-2-nitro-3-(4-propan-2-ylphenoxy)benzene
SMILESCC(C)c1ccc(Oc2cccc(F)c2[N+](=O)[O-])cc1
InChIInChI=1S/C15H14FNO3/c1-10(2)11-6-8-12(9-7-11)20-14-5-3-4-13(16)15(14)17(18)19/h3-10H,1-2H3
InChIKeyILHOBUNIBXBFEF-UHFFFAOYSA-N
MW275.28 g/mol
LogP4.65
Rot. Bonds4

About 1-fluoro-2-nitro-3-(4-propan-2-ylphenoxy)benzene

1-fluoro-2-nitro-3-(4-propan-2-ylphenoxy)benzene (PubChem CID 62662926) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-fluoro-2-nitro-3-(4-propan-2-ylphenoxy)benzene.

Molecular Properties

Compound Name1-fluoro-2-nitro-3-(4-propan-2-ylphenoxy)benzene
PubChem CID62662926
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name1-fluoro-2-nitro-3-(4-propan-2-ylphenoxy)benzene
SMILESCC(C)c1ccc(Oc2cccc(F)c2[N+](=O)[O-])cc1
InChIInChI=1S/C15H14FNO3/c1-10(2)11-6-8-12(9-7-11)20-14-5-3-4-13(16)15(14)17(18)19/h3-10H,1-2H3
InChIKeyILHOBUNIBXBFEF-UHFFFAOYSA-N
XLogP4.65
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 54.65
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-3-(4-methoxyphenoxy)-2-nitrobenzene
CID 62663819
1-fluoro-2-nitro-3-propan-2-yloxybenzene
CID 53255569
1-(3-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene
CID 62665261
N-methyl-1-[4-(3-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 61037983
2-fluoro-6-(4-propan-2-ylphenoxy)benzonitrile
CID 79513583
1-fluoro-2-nitro-3-(1-phenylethoxy)benzene
CID 62664890
(1R)-1-[2-fluoro-6-(4-nitrophenoxy)phenyl]ethanamine
CID 63369973
3-(4-chlorophenoxy)-2-nitroaniline
CID 80864379
1-(3-bromo-5-fluorophenoxy)-3-fluoro-2-nitrobenzene
CID 81331353
2-(3-fluoro-2-nitrophenoxy)-1,3,4-trimethylbenzene
CID 62663992
7-(3-fluoro-2-nitrophenoxy)quinoline
CID 107313631
1-fluoro-3-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-nitrobenzene
CID 118470642

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-nitro-3-(4-propan-2-ylphenoxy)benzene?
The IUPAC name of 1-fluoro-2-nitro-3-(4-propan-2-ylphenoxy)benzene (CID 62662926) is 1-fluoro-2-nitro-3-(4-propan-2-ylphenoxy)benzene.
What is the SMILES notation for 1-fluoro-2-nitro-3-(4-propan-2-ylphenoxy)benzene?
The canonical SMILES for 1-fluoro-2-nitro-3-(4-propan-2-ylphenoxy)benzene is CC(C)c1ccc(Oc2cccc(F)c2[N+](=O)[O-])cc1.
What is the InChIKey of 1-fluoro-2-nitro-3-(4-propan-2-ylphenoxy)benzene?
The InChIKey is ILHOBUNIBXBFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-10(2)11-6-8-12(9-7-11)20-14-5-3-4-13(16)15(14)17(18)19/h3-10H,1-2H3.
What are the key properties of 1-fluoro-2-nitro-3-(4-propan-2-ylphenoxy)benzene?
1-fluoro-2-nitro-3-(4-propan-2-ylphenoxy)benzene has a molecular weight of 275.28 g/mol, XLogP of 4.65, 4 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-(4-propan-2-ylphenoxy)benzene is sourced from PubChem (CID 62662926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).