1-chloro-4-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-2-fluorobenzene

C16H19Cl2F — CID 18656204

IUPAC1-chloro-4-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-2-fluorobenzene
SMILESFc1cc(CCC2CCC(/C=C/Cl)CC2)ccc1Cl
InChIInChI=1S/C16H19Cl2F/c17-10-9-13-3-1-12(2-4-13)5-6-14-7-8-15(18)16(19)11-14/h7-13H,1-6H2/b10-9+
InChIKeyLEJBZOLMYRKUPB-MDZDMXLPSA-N
MW301.23 g/mol
LogP5.97
Rot. Bonds4

About 1-chloro-4-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-2-fluorobenzene

1-chloro-4-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-2-fluorobenzene (PubChem CID 18656204) has the molecular formula C16H19Cl2F and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-chloro-4-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-4-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-2-fluorobenzene
PubChem CID18656204
Molecular FormulaC16H19Cl2F
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name1-chloro-4-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-2-fluorobenzene
SMILESFc1cc(CCC2CCC(/C=C/Cl)CC2)ccc1Cl
InChIInChI=1S/C16H19Cl2F/c17-10-9-13-3-1-12(2-4-13)5-6-14-7-8-15(18)16(19)11-14/h7-13H,1-6H2/b10-9+
InChIKeyLEJBZOLMYRKUPB-MDZDMXLPSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.23
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene
CID 54333614
1-chloro-2-fluoro-4-[2-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 19097896
4-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(methoxymethyl)benzene
CID 18656509
5-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 18656529
1-chloro-4-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluorobenzene
CID 18656484
5-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]-1,3-difluoro-2-propoxybenzene
CID 54194116
1-bromo-4-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene
CID 18656533
4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene
CID 19992698
2-(4-chloro-3-fluorophenyl)-5-[2-(4-ethenylcyclohexyl)ethyl]pyrimidine
CID 67610566
1-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-4-(4-ethoxyphenyl)benzene
CID 18656366
2-[2-(4-chloro-3-fluorophenyl)ethyl]-6-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene
CID 139872664
(2E,4E)-5-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]penta-2,4-dienenitrile
CID 19613546

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-2-fluorobenzene?
The IUPAC name of 1-chloro-4-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-2-fluorobenzene (CID 18656204) is 1-chloro-4-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-2-fluorobenzene.
What is the SMILES notation for 1-chloro-4-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-2-fluorobenzene?
The canonical SMILES for 1-chloro-4-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-2-fluorobenzene is Fc1cc(CCC2CCC(/C=C/Cl)CC2)ccc1Cl.
What is the InChIKey of 1-chloro-4-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-2-fluorobenzene?
The InChIKey is LEJBZOLMYRKUPB-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H19Cl2F/c17-10-9-13-3-1-12(2-4-13)5-6-14-7-8-15(18)16(19)11-14/h7-13H,1-6H2/b10-9+.
What are the key properties of 1-chloro-4-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-2-fluorobenzene?
1-chloro-4-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-2-fluorobenzene has a molecular weight of 301.23 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-2-fluorobenzene is sourced from PubChem (CID 18656204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).