1,2-difluoro-4-[4-(6-fluorohex-5-enyl)cyclohexyl]benzene

C18H23F3 — CID 54333398

IUPAC1,2-difluoro-4-[4-(6-fluorohex-5-enyl)cyclohexyl]benzene
SMILESFC=CCCCCC1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H23F3/c19-12-4-2-1-3-5-14-6-8-15(9-7-14)16-10-11-17(20)18(21)13-16/h4,10-15H,1-3,5-9H2
InChIKeySZXKSBWDSFGUOF-UHFFFAOYSA-N
MW296.38 g/mol
LogP6.28
Rot. Bonds6

About 1,2-difluoro-4-[4-(6-fluorohex-5-enyl)cyclohexyl]benzene

1,2-difluoro-4-[4-(6-fluorohex-5-enyl)cyclohexyl]benzene (PubChem CID 54333398) has the molecular formula C18H23F3 and a molecular weight of 296.38 g/mol. Its IUPAC name is 1,2-difluoro-4-[4-(6-fluorohex-5-enyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[4-(6-fluorohex-5-enyl)cyclohexyl]benzene
PubChem CID54333398
Molecular FormulaC18H23F3
Molecular Weight296.38 g/mol
Exact Mass296.18
IUPAC Name1,2-difluoro-4-[4-(6-fluorohex-5-enyl)cyclohexyl]benzene
SMILESFC=CCCCCC1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H23F3/c19-12-4-2-1-3-5-14-6-8-15(9-7-14)16-10-11-17(20)18(21)13-16/h4,10-15H,1-3,5-9H2
InChIKeySZXKSBWDSFGUOF-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.38
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-difluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]phenyl]benzene
CID 19798704
1,2-difluoro-4-[4-[4-(5-fluoropent-4-enyl)cyclohexyl]phenyl]benzene
CID 54546268
1-fluoro-4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]benzene
CID 19780950
1-fluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]cyclohexyl]benzene
CID 19781034
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
1,2-difluoro-4-[4-(4-pent-4-enylcyclohexyl)cyclohexyl]benzene
CID 139724806
1,2-difluoro-4-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]benzene
CID 54184964
4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene
CID 139724444
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
1,2-difluoro-4-[4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 19695333
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[4-(6-fluorohex-5-enyl)cyclohexyl]benzene?
The IUPAC name of 1,2-difluoro-4-[4-(6-fluorohex-5-enyl)cyclohexyl]benzene (CID 54333398) is 1,2-difluoro-4-[4-(6-fluorohex-5-enyl)cyclohexyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[4-(6-fluorohex-5-enyl)cyclohexyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[4-(6-fluorohex-5-enyl)cyclohexyl]benzene is FC=CCCCCC1CCC(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1,2-difluoro-4-[4-(6-fluorohex-5-enyl)cyclohexyl]benzene?
The InChIKey is SZXKSBWDSFGUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3/c19-12-4-2-1-3-5-14-6-8-15(9-7-14)16-10-11-17(20)18(21)13-16/h4,10-15H,1-3,5-9H2.
What are the key properties of 1,2-difluoro-4-[4-(6-fluorohex-5-enyl)cyclohexyl]benzene?
1,2-difluoro-4-[4-(6-fluorohex-5-enyl)cyclohexyl]benzene has a molecular weight of 296.38 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[4-(6-fluorohex-5-enyl)cyclohexyl]benzene is sourced from PubChem (CID 54333398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).