1,2-difluoro-4-[4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexyl]benzene

C25H36F2 — CID 19779944

IUPAC1,2-difluoro-4-[4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexyl]benzene
SMILESCCCCC/C=C/C1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C25H36F2/c1-2-3-4-5-6-7-19-8-10-20(11-9-19)21-12-14-22(15-13-21)23-16-17-24(26)25(27)18-23/h6-7,16-22H,2-5,8-15H2,1H3/b7-6+
InChIKeyDRXFXQNKTXGUJL-VOTSOKGWSA-N
MW374.56 g/mol
LogP8.18
Rot. Bonds7

About 1,2-difluoro-4-[4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexyl]benzene

1,2-difluoro-4-[4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexyl]benzene (PubChem CID 19779944) has the molecular formula C25H36F2 and a molecular weight of 374.56 g/mol. Its IUPAC name is 1,2-difluoro-4-[4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexyl]benzene
PubChem CID19779944
Molecular FormulaC25H36F2
Molecular Weight374.56 g/mol
Exact Mass374.28
IUPAC Name1,2-difluoro-4-[4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexyl]benzene
SMILESCCCCC/C=C/C1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C25H36F2/c1-2-3-4-5-6-7-19-8-10-20(11-9-19)21-12-14-22(15-13-21)23-16-17-24(26)25(27)18-23/h6-7,16-22H,2-5,8-15H2,1H3/b7-6+
InChIKeyDRXFXQNKTXGUJL-VOTSOKGWSA-N
XLogP8.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.56
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-difluoro-4-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]benzene
CID 54184964
1-butyl-2,3-difluoro-4-[2-fluoro-4-[4-[4-[(E)-hex-1-enyl]cyclohexyl]cyclohexyl]phenyl]benzene
CID 20621677
2-[4-(3,4-difluorophenyl)cyclohexyl]-5-pent-1-enyl-1,3-dioxane
CID 54191136
2-fluoro-4-(4-hex-1-enylcyclohexyl)benzonitrile
CID 54394190
1,2-difluoro-4-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene
CID 22915776
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
4-[4-[(E)-4,4-difluorobut-1-enyl]cyclohexyl]-1,2-difluorobenzene
CID 19695568
1,2-difluoro-4-[4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 19695333
2-fluoro-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene
CID 19695440
1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]-2-(trifluoromethyl)benzene
CID 67589506
1,2-difluoro-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]benzene
CID 54158717
2-fluoro-4-[4-[(E)-4-(4-pentylcyclohexyl)but-1-enyl]cyclohexyl]-1-(trifluoromethyl)benzene
CID 139629397

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexyl]benzene?
The IUPAC name of 1,2-difluoro-4-[4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexyl]benzene (CID 19779944) is 1,2-difluoro-4-[4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexyl]benzene is CCCCC/C=C/C1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1.
What is the InChIKey of 1,2-difluoro-4-[4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexyl]benzene?
The InChIKey is DRXFXQNKTXGUJL-VOTSOKGWSA-N. The full InChI is InChI=1S/C25H36F2/c1-2-3-4-5-6-7-19-8-10-20(11-9-19)21-12-14-22(15-13-21)23-16-17-24(26)25(27)18-23/h6-7,16-22H,2-5,8-15H2,1H3/b7-6+.
What are the key properties of 1,2-difluoro-4-[4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexyl]benzene?
1,2-difluoro-4-[4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexyl]benzene has a molecular weight of 374.56 g/mol, XLogP of 8.18, 7 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-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexyl]benzene is sourced from PubChem (CID 19779944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).