1-fluoro-2-nitro-3-(1-phenylethoxy)benzene

C14H12FNO3 — CID 62664890

IUPAC1-fluoro-2-nitro-3-(1-phenylethoxy)benzene
SMILESCC(Oc1cccc(F)c1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C14H12FNO3/c1-10(11-6-3-2-4-7-11)19-13-9-5-8-12(15)14(13)16(17)18/h2-10H,1H3
InChIKeyUDPFWYZBMTVHQY-UHFFFAOYSA-N
MW261.25 g/mol
LogP3.87
Rot. Bonds4

About 1-fluoro-2-nitro-3-(1-phenylethoxy)benzene

1-fluoro-2-nitro-3-(1-phenylethoxy)benzene (PubChem CID 62664890) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-fluoro-2-nitro-3-(1-phenylethoxy)benzene.

Molecular Properties

Compound Name1-fluoro-2-nitro-3-(1-phenylethoxy)benzene
PubChem CID62664890
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name1-fluoro-2-nitro-3-(1-phenylethoxy)benzene
SMILESCC(Oc1cccc(F)c1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C14H12FNO3/c1-10(11-6-3-2-4-7-11)19-13-9-5-8-12(15)14(13)16(17)18/h2-10H,1H3
InChIKeyUDPFWYZBMTVHQY-UHFFFAOYSA-N
XLogP3.87
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 53.87
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-propan-2-yloxybenzene
CID 53255569
1-fluoro-2-nitro-3-(4-propan-2-ylphenoxy)benzene
CID 62662926
1-[2-fluoro-6-(1-phenylethoxy)phenyl]-N-methylethanamine
CID 43285066
3-fluoro-2-(1-phenylethoxy)benzoic acid
CID 55101618
1-[1-(2,3-dinitrophenoxy)ethoxy]-2,3-dinitrobenzene
CID 154083486
2-(3-fluoro-2-nitrophenoxy)-1,3,4-trimethylbenzene
CID 62663992
1-[1-(3-chlorophenyl)ethoxy]-2-fluoro-4-nitrobenzene
CID 174601704
5-nitro-6-(1-phenylethoxy)pyrimidin-4-amine
CID 80860205
1-fluoro-3-(2-methoxyethoxy)-2-nitrobenzene
CID 53255561
1-fluoro-3-(4-methoxyphenoxy)-2-nitrobenzene
CID 62663819
2-[1-(3-nitrophenyl)ethoxy]benzonitrile
CID 18090993
2-[3-(difluoromethoxy)-2-nitrophenyl]propanal
CID 134639737

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-nitro-3-(1-phenylethoxy)benzene?
The IUPAC name of 1-fluoro-2-nitro-3-(1-phenylethoxy)benzene (CID 62664890) is 1-fluoro-2-nitro-3-(1-phenylethoxy)benzene.
What is the SMILES notation for 1-fluoro-2-nitro-3-(1-phenylethoxy)benzene?
The canonical SMILES for 1-fluoro-2-nitro-3-(1-phenylethoxy)benzene is CC(Oc1cccc(F)c1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of 1-fluoro-2-nitro-3-(1-phenylethoxy)benzene?
The InChIKey is UDPFWYZBMTVHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-10(11-6-3-2-4-7-11)19-13-9-5-8-12(15)14(13)16(17)18/h2-10H,1H3.
What are the key properties of 1-fluoro-2-nitro-3-(1-phenylethoxy)benzene?
1-fluoro-2-nitro-3-(1-phenylethoxy)benzene has a molecular weight of 261.25 g/mol, XLogP of 3.87, 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-(1-phenylethoxy)benzene is sourced from PubChem (CID 62664890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).