4-cyclohex-2-en-1-yloxy-2-fluoro-1-nitrobenzene

C12H12FNO3 — CID 115618739

IUPAC4-cyclohex-2-en-1-yloxy-2-fluoro-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OC2C=CCCC2)cc1F
InChIInChI=1S/C12H12FNO3/c13-11-8-10(6-7-12(11)14(15)16)17-9-4-2-1-3-5-9/h2,4,6-9H,1,3,5H2
InChIKeyJPWHBQBYYMGTKJ-UHFFFAOYSA-N
MW237.23 g/mol
LogP3.22
Rot. Bonds3

About 4-cyclohex-2-en-1-yloxy-2-fluoro-1-nitrobenzene

4-cyclohex-2-en-1-yloxy-2-fluoro-1-nitrobenzene (PubChem CID 115618739) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-yloxy-2-fluoro-1-nitrobenzene.

Molecular Properties

Compound Name4-cyclohex-2-en-1-yloxy-2-fluoro-1-nitrobenzene
PubChem CID115618739
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name4-cyclohex-2-en-1-yloxy-2-fluoro-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OC2C=CCCC2)cc1F
InChIInChI=1S/C12H12FNO3/c13-11-8-10(6-7-12(11)14(15)16)17-9-4-2-1-3-5-9/h2,4,6-9H,1,3,5H2
InChIKeyJPWHBQBYYMGTKJ-UHFFFAOYSA-N
XLogP3.22
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-bromo-4-cyclohex-2-en-1-yloxy-2-fluorobenzene
CID 114620041
4-(3-bromocyclobutyl)oxy-2-fluoro-1-nitrobenzene
CID 66344105
4-cyclohex-2-en-1-yloxy-3-nitrobenzonitrile
CID 113233610
4-[(1S)-cyclohex-2-en-1-yl]oxybenzoate
CID 7343247
(E)-3-(3-cyclohex-2-en-1-yloxy-4-nitrophenyl)prop-2-enoic acid
CID 114620201
4-(2-cyclopropyloxyethoxy)-2-fluoro-1-nitrobenzene
CID 176909165
2-[(1R)-cyclohex-2-en-1-yl]-4-fluoro-1-nitrobenzene
CID 125485528
1-(3-fluoro-4-nitrophenoxy)spiro[3.5]nonan-3-one
CID 66367673
3-chloro-1-(3-fluoro-4-nitrophenoxy)spiro[3.4]octane
CID 66343285
2-cyclohex-2-en-1-yloxy-6-nitrobenzonitrile
CID 66747185
N-[(4-cyclohex-2-en-1-yloxy-3-nitrophenyl)methyl]propan-2-amine
CID 114619650
1-cyclohex-2-en-1-yloxy-3-methylbenzene
CID 91516514

Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-2-en-1-yloxy-2-fluoro-1-nitrobenzene?
The IUPAC name of 4-cyclohex-2-en-1-yloxy-2-fluoro-1-nitrobenzene (CID 115618739) is 4-cyclohex-2-en-1-yloxy-2-fluoro-1-nitrobenzene.
What is the SMILES notation for 4-cyclohex-2-en-1-yloxy-2-fluoro-1-nitrobenzene?
The canonical SMILES for 4-cyclohex-2-en-1-yloxy-2-fluoro-1-nitrobenzene is O=[N+]([O-])c1ccc(OC2C=CCCC2)cc1F.
What is the InChIKey of 4-cyclohex-2-en-1-yloxy-2-fluoro-1-nitrobenzene?
The InChIKey is JPWHBQBYYMGTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-11-8-10(6-7-12(11)14(15)16)17-9-4-2-1-3-5-9/h2,4,6-9H,1,3,5H2.
What are the key properties of 4-cyclohex-2-en-1-yloxy-2-fluoro-1-nitrobenzene?
4-cyclohex-2-en-1-yloxy-2-fluoro-1-nitrobenzene has a molecular weight of 237.23 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-yloxy-2-fluoro-1-nitrobenzene is sourced from PubChem (CID 115618739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).