5-chloro-2-(4-chloro-2-fluorocyclohex-2-en-1-yl)-1-fluorocyclohexa-1,3-diene

C12H12Cl2F2 — CID 166648070

IUPAC5-chloro-2-(4-chloro-2-fluorocyclohex-2-en-1-yl)-1-fluorocyclohexa-1,3-diene
SMILESFC1=CC(Cl)CCC1C1=C(F)CC(Cl)C=C1
InChIInChI=1S/C12H12Cl2F2/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1,3,6-8,10H,2,4-5H2
InChIKeyBAHKTKJAIBPNHY-UHFFFAOYSA-N
MW265.13 g/mol
LogP4.65
Rot. Bonds1

About 5-chloro-2-(4-chloro-2-fluorocyclohex-2-en-1-yl)-1-fluorocyclohexa-1,3-diene

5-chloro-2-(4-chloro-2-fluorocyclohex-2-en-1-yl)-1-fluorocyclohexa-1,3-diene (PubChem CID 166648070) has the molecular formula C12H12Cl2F2 and a molecular weight of 265.13 g/mol. Its IUPAC name is 5-chloro-2-(4-chloro-2-fluorocyclohex-2-en-1-yl)-1-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5-chloro-2-(4-chloro-2-fluorocyclohex-2-en-1-yl)-1-fluorocyclohexa-1,3-diene
PubChem CID166648070
Molecular FormulaC12H12Cl2F2
Molecular Weight265.13 g/mol
Exact Mass264.03
IUPAC Name5-chloro-2-(4-chloro-2-fluorocyclohex-2-en-1-yl)-1-fluorocyclohexa-1,3-diene
SMILESFC1=CC(Cl)CCC1C1=C(F)CC(Cl)C=C1
InChIInChI=1S/C12H12Cl2F2/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1,3,6-8,10H,2,4-5H2
InChIKeyBAHKTKJAIBPNHY-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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9-Chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene
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6-Chloro-2-fluoro-5-propylcyclohexa-1,3-diene
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(2Z,10Z)-9-chloro-7,16-difluorotricyclo[10.4.0.03,8]hexadeca-1(12),2,4,6,10,13-hexaene
CID 88679861
3-[2-(1-Chloropropan-2-yl)hepta-2,4-dienyl]-5-fluoro-1,6-dimethylcyclohexa-1,3-diene
CID 91165582
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CID 146232099
1,5-Dichloro-6-ethyl-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 155471334
(3E)-2-chloro-1-ethenyl-3-ethylidene-5-(trifluoromethyl)cyclohexene
CID 168799454
(Z,4Z)-7-(1-chloroethyl)-1-fluoro-4-(1-fluoroethylidene)-5-methylideneundec-2-ene
CID 170226962
1-(1-Chloropropan-2-yl)-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 173078189
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chloro-2-fluorocyclohex-2-en-1-yl)-1-fluorocyclohexa-1,3-diene?
The IUPAC name of 5-chloro-2-(4-chloro-2-fluorocyclohex-2-en-1-yl)-1-fluorocyclohexa-1,3-diene (CID 166648070) is 5-chloro-2-(4-chloro-2-fluorocyclohex-2-en-1-yl)-1-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 5-chloro-2-(4-chloro-2-fluorocyclohex-2-en-1-yl)-1-fluorocyclohexa-1,3-diene?
The canonical SMILES for 5-chloro-2-(4-chloro-2-fluorocyclohex-2-en-1-yl)-1-fluorocyclohexa-1,3-diene is FC1=CC(Cl)CCC1C1=C(F)CC(Cl)C=C1.
What is the InChIKey of 5-chloro-2-(4-chloro-2-fluorocyclohex-2-en-1-yl)-1-fluorocyclohexa-1,3-diene?
The InChIKey is BAHKTKJAIBPNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2F2/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1,3,6-8,10H,2,4-5H2.
What are the key properties of 5-chloro-2-(4-chloro-2-fluorocyclohex-2-en-1-yl)-1-fluorocyclohexa-1,3-diene?
5-chloro-2-(4-chloro-2-fluorocyclohex-2-en-1-yl)-1-fluorocyclohexa-1,3-diene has a molecular weight of 265.13 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-chloro-2-fluorocyclohex-2-en-1-yl)-1-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 166648070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).