1-bromo-4-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene

C22H29Br2F — CID 18656533

IUPAC1-bromo-4-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene
SMILESFc1cc(CCC2CCC(C3CCC(/C=C/Br)CC3)CC2)ccc1Br
InChIInChI=1S/C22H29Br2F/c23-14-13-17-5-10-20(11-6-17)19-8-3-16(4-9-19)1-2-18-7-12-21(24)22(25)15-18/h7,12-17,19-20H,1-6,8-11H2/b14-13+
InChIKeyDHDZNHFPWDHUME-BUHFOSPRSA-N
MW472.28 g/mol
LogP8.04
Rot. Bonds5

About 1-bromo-4-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene

1-bromo-4-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene (PubChem CID 18656533) has the molecular formula C22H29Br2F and a molecular weight of 472.28 g/mol. Its IUPAC name is 1-bromo-4-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene
PubChem CID18656533
Molecular FormulaC22H29Br2F
Molecular Weight472.28 g/mol
Exact Mass470.06
IUPAC Name1-bromo-4-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene
SMILESFc1cc(CCC2CCC(C3CCC(/C=C/Br)CC3)CC2)ccc1Br
InChIInChI=1S/C22H29Br2F/c23-14-13-17-5-10-20(11-6-17)19-8-3-16(4-9-19)1-2-18-7-12-21(24)22(25)15-18/h7,12-17,19-20H,1-6,8-11H2/b14-13+
InChIKeyDHDZNHFPWDHUME-BUHFOSPRSA-N
XLogP8.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.28
LogP ≤ 58.04
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-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-fluorobenzene
CID 18656555
4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene
CID 19992698
1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene
CID 18656557
1-chloro-2-fluoro-4-[2-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 19097896
1-chloro-4-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-2-fluorobenzene
CID 18656204
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-fluoro-4-[2-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]benzene
CID 19992676
2-chloro-1,3-difluoro-5-[2-[4-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 19695462
1,2,3-trifluoro-5-[2-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]cyclohexyl]ethyl]benzene
CID 54111365
4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene
CID 14993441

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene?
The IUPAC name of 1-bromo-4-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene (CID 18656533) is 1-bromo-4-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene.
What is the SMILES notation for 1-bromo-4-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene?
The canonical SMILES for 1-bromo-4-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene is Fc1cc(CCC2CCC(C3CCC(/C=C/Br)CC3)CC2)ccc1Br.
What is the InChIKey of 1-bromo-4-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene?
The InChIKey is DHDZNHFPWDHUME-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H29Br2F/c23-14-13-17-5-10-20(11-6-17)19-8-3-16(4-9-19)1-2-18-7-12-21(24)22(25)15-18/h7,12-17,19-20H,1-6,8-11H2/b14-13+.
What are the key properties of 1-bromo-4-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene?
1-bromo-4-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene has a molecular weight of 472.28 g/mol, XLogP of 8.04, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene is sourced from PubChem (CID 18656533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).