1-chloro-2-(2-chloroprop-2-enoxy)-5-fluoro-4-nitrobenzene

C9H6Cl2FNO3 — CID 19806963

IUPAC1-chloro-2-(2-chloroprop-2-enoxy)-5-fluoro-4-nitrobenzene
SMILESC=C(Cl)COc1cc([N+](=O)[O-])c(F)cc1Cl
InChIInChI=1S/C9H6Cl2FNO3/c1-5(10)4-16-9-3-8(13(14)15)7(12)2-6(9)11/h2-3H,1,4H2
InChIKeyHXVITPMYQDPYPJ-UHFFFAOYSA-N
MW266.06 g/mol
LogP3.52
Rot. Bonds4

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

1-chloro-2-(2-chloroprop-2-enoxy)-5-fluoro-4-nitrobenzene (PubChem CID 19806963) has the molecular formula C9H6Cl2FNO3 and a molecular weight of 266.06 g/mol. Its IUPAC name is 1-chloro-2-(2-chloroprop-2-enoxy)-5-fluoro-4-nitrobenzene.

Molecular Properties

Compound Name1-chloro-2-(2-chloroprop-2-enoxy)-5-fluoro-4-nitrobenzene
PubChem CID19806963
Molecular FormulaC9H6Cl2FNO3
Molecular Weight266.06 g/mol
Exact Mass264.97
IUPAC Name1-chloro-2-(2-chloroprop-2-enoxy)-5-fluoro-4-nitrobenzene
SMILESC=C(Cl)COc1cc([N+](=O)[O-])c(F)cc1Cl
InChIInChI=1S/C9H6Cl2FNO3/c1-5(10)4-16-9-3-8(13(14)15)7(12)2-6(9)11/h2-3H,1,4H2
InChIKeyHXVITPMYQDPYPJ-UHFFFAOYSA-N
XLogP3.52
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.06
LogP ≤ 53.52
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

2-Chloro-5-nitroanisole
CID 70519
1-Chloro-2,5-diethoxy-4-nitrobenzene
CID 66675
Fluoronitrofen
CID 26247
1-(2-Chloroethoxy)-3-nitrobenzene
CID 4304424
1,5-Dichloro-2-(1-methylethoxy)-4-nitrobenzene
CID 3016256
2-Chloro-1-methoxy-3-nitrobenzene
CID 12411827
2-Chloro-4-fluoro-5-nitrophenyl ethyl carbonate
CID 3729764
4-Chloro-2-fluoro-5-methoxyaniline
CID 185082
1-Chloro-5-fluoro-2-methoxy-4-nitrobenzene
CID 2779295
1,4-Dibutoxy-2-chloro-5-nitrobenzene
CID 66635
Benzenamine, 4-chloro-2-fluoro-5-(2-propynyloxy)-
CID 13272927
4-Chloro-2-fluoro-5-propoxyaniline
CID 13281430

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-chloroprop-2-enoxy)-5-fluoro-4-nitrobenzene?
The IUPAC name of 1-chloro-2-(2-chloroprop-2-enoxy)-5-fluoro-4-nitrobenzene (CID 19806963) is 1-chloro-2-(2-chloroprop-2-enoxy)-5-fluoro-4-nitrobenzene.
What is the SMILES notation for 1-chloro-2-(2-chloroprop-2-enoxy)-5-fluoro-4-nitrobenzene?
The canonical SMILES for 1-chloro-2-(2-chloroprop-2-enoxy)-5-fluoro-4-nitrobenzene is C=C(Cl)COc1cc([N+](=O)[O-])c(F)cc1Cl.
What is the InChIKey of 1-chloro-2-(2-chloroprop-2-enoxy)-5-fluoro-4-nitrobenzene?
The InChIKey is HXVITPMYQDPYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2FNO3/c1-5(10)4-16-9-3-8(13(14)15)7(12)2-6(9)11/h2-3H,1,4H2.
What are the key properties of 1-chloro-2-(2-chloroprop-2-enoxy)-5-fluoro-4-nitrobenzene?
1-chloro-2-(2-chloroprop-2-enoxy)-5-fluoro-4-nitrobenzene has a molecular weight of 266.06 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-chloroprop-2-enoxy)-5-fluoro-4-nitrobenzene is sourced from PubChem (CID 19806963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).