1-[1-(3-chlorophenyl)ethoxy]-2-fluoro-4-nitrobenzene

C14H11ClFNO3 — CID 174601704

IUPAC1-[1-(3-chlorophenyl)ethoxy]-2-fluoro-4-nitrobenzene
SMILESCC(Oc1ccc([N+](=O)[O-])cc1F)c1cccc(Cl)c1
InChIInChI=1S/C14H11ClFNO3/c1-9(10-3-2-4-11(15)7-10)20-14-6-5-12(17(18)19)8-13(14)16/h2-9H,1H3
InChIKeyZFXVBDQWYQBYGJ-UHFFFAOYSA-N
MW295.70 g/mol
LogP4.53
Rot. Bonds4

About 1-[1-(3-chlorophenyl)ethoxy]-2-fluoro-4-nitrobenzene

1-[1-(3-chlorophenyl)ethoxy]-2-fluoro-4-nitrobenzene (PubChem CID 174601704) has the molecular formula C14H11ClFNO3 and a molecular weight of 295.70 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethoxy]-2-fluoro-4-nitrobenzene.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethoxy]-2-fluoro-4-nitrobenzene
PubChem CID174601704
Molecular FormulaC14H11ClFNO3
Molecular Weight295.70 g/mol
Exact Mass295.04
IUPAC Name1-[1-(3-chlorophenyl)ethoxy]-2-fluoro-4-nitrobenzene
SMILESCC(Oc1ccc([N+](=O)[O-])cc1F)c1cccc(Cl)c1
InChIInChI=1S/C14H11ClFNO3/c1-9(10-3-2-4-11(15)7-10)20-14-6-5-12(17(18)19)8-13(14)16/h2-9H,1H3
InChIKeyZFXVBDQWYQBYGJ-UHFFFAOYSA-N
XLogP4.53
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 54.53
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-methoxy-4-nitro-2-[(1S)-1-(3-nitrophenyl)ethoxy]benzene
CID 9356044
2-(2-fluoro-4-nitrophenoxy)propanamide
CID 61034848
2-[1-(3-nitrophenyl)ethoxy]benzonitrile
CID 18090993
2-(2,4-dichlorophenoxy)-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 16960543
[(1R)-1-(3-nitrophenyl)ethyl] 5-chloro-2-methoxybenzoate
CID 8738363
3-methoxy-4-[(1R)-1-(3-nitrophenyl)ethoxy]benzonitrile
CID 8978383
1-[3-fluoro-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol
CID 61038214
(1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370027
1-fluoro-2-nitro-3-(1-phenylethoxy)benzene
CID 62664890
2-(2-chloro-4-nitrophenoxy)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 7509267
1-(1-fluoroethyl)-3-nitrobenzene
CID 139245530
(2R)-2-(2-fluoro-4-nitrophenoxy)-N-(2-fluorophenyl)propanamide
CID 94535804

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethoxy]-2-fluoro-4-nitrobenzene?
The IUPAC name of 1-[1-(3-chlorophenyl)ethoxy]-2-fluoro-4-nitrobenzene (CID 174601704) is 1-[1-(3-chlorophenyl)ethoxy]-2-fluoro-4-nitrobenzene.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethoxy]-2-fluoro-4-nitrobenzene?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethoxy]-2-fluoro-4-nitrobenzene is CC(Oc1ccc([N+](=O)[O-])cc1F)c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethoxy]-2-fluoro-4-nitrobenzene?
The InChIKey is ZFXVBDQWYQBYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3/c1-9(10-3-2-4-11(15)7-10)20-14-6-5-12(17(18)19)8-13(14)16/h2-9H,1H3.
What are the key properties of 1-[1-(3-chlorophenyl)ethoxy]-2-fluoro-4-nitrobenzene?
1-[1-(3-chlorophenyl)ethoxy]-2-fluoro-4-nitrobenzene has a molecular weight of 295.70 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethoxy]-2-fluoro-4-nitrobenzene is sourced from PubChem (CID 174601704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).