1-chloro-2-(1-chloroprop-1-en-2-yloxy)-5-fluoro-4-nitrobenzene

C9H6Cl2FNO3 — CID 57043864

IUPAC1-chloro-2-(1-chloroprop-1-en-2-yloxy)-5-fluoro-4-nitrobenzene
SMILESCC(=CCl)Oc1cc([N+](=O)[O-])c(F)cc1Cl
InChIInChI=1S/C9H6Cl2FNO3/c1-5(4-10)16-9-3-8(13(14)15)7(12)2-6(9)11/h2-4H,1H3
InChIKeyPBMHUFHTXIUULZ-UHFFFAOYSA-N
MW266.06 g/mol
LogP3.87
Rot. Bonds3

About 1-chloro-2-(1-chloroprop-1-en-2-yloxy)-5-fluoro-4-nitrobenzene

1-chloro-2-(1-chloroprop-1-en-2-yloxy)-5-fluoro-4-nitrobenzene (PubChem CID 57043864) has the molecular formula C9H6Cl2FNO3 and a molecular weight of 266.06 g/mol. Its IUPAC name is 1-chloro-2-(1-chloroprop-1-en-2-yloxy)-5-fluoro-4-nitrobenzene.

Molecular Properties

Compound Name1-chloro-2-(1-chloroprop-1-en-2-yloxy)-5-fluoro-4-nitrobenzene
PubChem CID57043864
Molecular FormulaC9H6Cl2FNO3
Molecular Weight266.06 g/mol
Exact Mass264.97
IUPAC Name1-chloro-2-(1-chloroprop-1-en-2-yloxy)-5-fluoro-4-nitrobenzene
SMILESCC(=CCl)Oc1cc([N+](=O)[O-])c(F)cc1Cl
InChIInChI=1S/C9H6Cl2FNO3/c1-5(4-10)16-9-3-8(13(14)15)7(12)2-6(9)11/h2-4H,1H3
InChIKeyPBMHUFHTXIUULZ-UHFFFAOYSA-N
XLogP3.87
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.06
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-[(E)-3-chloroprop-2-enoxy]-5-fluoro-4-nitrobenzene
CID 139226434
(2,4-difluoro-5-nitrophenyl) acetate
CID 174766654
1-(2-chloro-4-fluoro-5-nitrophenyl)ethanone
CID 18314484
N-(2-chloro-4-fluoro-5-nitrophenyl)acetamide
CID 18365929
1-fluoro-4-(4-fluoro-2-methyl-5-nitrophenoxy)-5-methyl-2-nitrobenzene
CID 142787352
2-chloro-4-fluoro-5-nitrobenzoyl iodide
CID 167464714
(4-chloro-2-fluoro-5-nitrophenyl) ethyl carbonate
CID 154694360
1-(5-fluoro-2-methoxy-4-nitrophenyl)ethanone
CID 131610488
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
acetic acid;1,2,4-trifluoro-5-nitrobenzene
CID 174830046
1-chloro-2,5-dimethoxy-4-nitrobenzene;methanol
CID 174813767
1-chloro-5-fluoro-4-nitro-2-(trifluoromethyl)benzene
CID 58919797

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(1-chloroprop-1-en-2-yloxy)-5-fluoro-4-nitrobenzene?
The IUPAC name of 1-chloro-2-(1-chloroprop-1-en-2-yloxy)-5-fluoro-4-nitrobenzene (CID 57043864) is 1-chloro-2-(1-chloroprop-1-en-2-yloxy)-5-fluoro-4-nitrobenzene.
What is the SMILES notation for 1-chloro-2-(1-chloroprop-1-en-2-yloxy)-5-fluoro-4-nitrobenzene?
The canonical SMILES for 1-chloro-2-(1-chloroprop-1-en-2-yloxy)-5-fluoro-4-nitrobenzene is CC(=CCl)Oc1cc([N+](=O)[O-])c(F)cc1Cl.
What is the InChIKey of 1-chloro-2-(1-chloroprop-1-en-2-yloxy)-5-fluoro-4-nitrobenzene?
The InChIKey is PBMHUFHTXIUULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2FNO3/c1-5(4-10)16-9-3-8(13(14)15)7(12)2-6(9)11/h2-4H,1H3.
What are the key properties of 1-chloro-2-(1-chloroprop-1-en-2-yloxy)-5-fluoro-4-nitrobenzene?
1-chloro-2-(1-chloroprop-1-en-2-yloxy)-5-fluoro-4-nitrobenzene has a molecular weight of 266.06 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(1-chloroprop-1-en-2-yloxy)-5-fluoro-4-nitrobenzene is sourced from PubChem (CID 57043864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).