2-[(1R)-cyclohex-2-en-1-yl]-4-fluoro-1-nitrobenzene

C12H12FNO2 — CID 125485528

IUPAC2-[(1R)-cyclohex-2-en-1-yl]-4-fluoro-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(F)cc1[C@H]1C=CCCC1
InChIInChI=1S/C12H12FNO2/c13-10-6-7-12(14(15)16)11(8-10)9-4-2-1-3-5-9/h2,4,6-9H,1,3,5H2/t9-/m0/s1
InChIKeyZIEPCWRZWDNRRH-VIFPVBQESA-N
MW221.23 g/mol
LogP3.56
Rot. Bonds2

About 2-[(1R)-cyclohex-2-en-1-yl]-4-fluoro-1-nitrobenzene

2-[(1R)-cyclohex-2-en-1-yl]-4-fluoro-1-nitrobenzene (PubChem CID 125485528) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-[(1R)-cyclohex-2-en-1-yl]-4-fluoro-1-nitrobenzene.

Molecular Properties

Compound Name2-[(1R)-cyclohex-2-en-1-yl]-4-fluoro-1-nitrobenzene
PubChem CID125485528
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name2-[(1R)-cyclohex-2-en-1-yl]-4-fluoro-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(F)cc1[C@H]1C=CCCC1
InChIInChI=1S/C12H12FNO2/c13-10-6-7-12(14(15)16)11(8-10)9-4-2-1-3-5-9/h2,4,6-9H,1,3,5H2/t9-/m0/s1
InChIKeyZIEPCWRZWDNRRH-VIFPVBQESA-N
XLogP3.56
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclohex-2-en-1-yl]-4-fluoro-1-nitrobenzene?
The IUPAC name of 2-[(1R)-cyclohex-2-en-1-yl]-4-fluoro-1-nitrobenzene (CID 125485528) is 2-[(1R)-cyclohex-2-en-1-yl]-4-fluoro-1-nitrobenzene.
What is the SMILES notation for 2-[(1R)-cyclohex-2-en-1-yl]-4-fluoro-1-nitrobenzene?
The canonical SMILES for 2-[(1R)-cyclohex-2-en-1-yl]-4-fluoro-1-nitrobenzene is O=[N+]([O-])c1ccc(F)cc1[C@H]1C=CCCC1.
What is the InChIKey of 2-[(1R)-cyclohex-2-en-1-yl]-4-fluoro-1-nitrobenzene?
The InChIKey is ZIEPCWRZWDNRRH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12FNO2/c13-10-6-7-12(14(15)16)11(8-10)9-4-2-1-3-5-9/h2,4,6-9H,1,3,5H2/t9-/m0/s1.
What are the key properties of 2-[(1R)-cyclohex-2-en-1-yl]-4-fluoro-1-nitrobenzene?
2-[(1R)-cyclohex-2-en-1-yl]-4-fluoro-1-nitrobenzene has a molecular weight of 221.23 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclohex-2-en-1-yl]-4-fluoro-1-nitrobenzene is sourced from PubChem (CID 125485528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).