1,3-difluoro-5-[4-(4-pent-1-enylcyclohexyl)cyclohexen-1-yl]benzene

C23H30F2 — CID 139890200

IUPAC1,3-difluoro-5-[4-(4-pent-1-enylcyclohexyl)cyclohexen-1-yl]benzene
SMILESCCCC=CC1CCC(C2CC=C(c3cc(F)cc(F)c3)CC2)CC1
InChIInChI=1S/C23H30F2/c1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-22(24)16-23(25)15-21/h4-5,12,14-19H,2-3,6-11,13H2,1H3
InChIKeyTYSXKJAGXCKGKX-UHFFFAOYSA-N
MW344.49 g/mol
LogP7.31
Rot. Bonds5

About 1,3-difluoro-5-[4-(4-pent-1-enylcyclohexyl)cyclohexen-1-yl]benzene

1,3-difluoro-5-[4-(4-pent-1-enylcyclohexyl)cyclohexen-1-yl]benzene (PubChem CID 139890200) has the molecular formula C23H30F2 and a molecular weight of 344.49 g/mol. Its IUPAC name is 1,3-difluoro-5-[4-(4-pent-1-enylcyclohexyl)cyclohexen-1-yl]benzene.

Molecular Properties

Compound Name1,3-difluoro-5-[4-(4-pent-1-enylcyclohexyl)cyclohexen-1-yl]benzene
PubChem CID139890200
Molecular FormulaC23H30F2
Molecular Weight344.49 g/mol
Exact Mass344.23
IUPAC Name1,3-difluoro-5-[4-(4-pent-1-enylcyclohexyl)cyclohexen-1-yl]benzene
SMILESCCCC=CC1CCC(C2CC=C(c3cc(F)cc(F)c3)CC2)CC1
InChIInChI=1S/C23H30F2/c1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-22(24)16-23(25)15-21/h4-5,12,14-19H,2-3,6-11,13H2,1H3
InChIKeyTYSXKJAGXCKGKX-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.49
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-but-1-ynylcyclohexyl)cyclohexen-1-yl]-3,5-difluorobenzene
CID 139890205
1-[4-(4-dec-1-ynylcyclohexyl)cyclohexen-1-yl]-3,5-difluorobenzene
CID 139890188
2-(3,5-difluorophenyl)-6-[(E)-pent-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384064
1-[4-(4-ethylcyclohexyl)but-3-enyl]-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]-2,3-difluorobenzene
CID 77417388
1,2,3-trifluoro-5-[(4R)-4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 86326322
1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene
CID 70499884
1-[4-(4-cyclobutylcyclohexen-1-yl)phenyl]-3,5-difluorobenzene
CID 118423732
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]cyclohexen-1-yl]benzene
CID 118316610
1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]-2-(trifluoromethyl)benzene
CID 67589506
1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 601618
2-(difluoromethyl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene
CID 126556663
1-[4-[4-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-3-fluorophenyl]phenyl]-2,3-difluoro-4-[(Z)-pent-1-enoxy]benzene
CID 88998246

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-[4-(4-pent-1-enylcyclohexyl)cyclohexen-1-yl]benzene?
The IUPAC name of 1,3-difluoro-5-[4-(4-pent-1-enylcyclohexyl)cyclohexen-1-yl]benzene (CID 139890200) is 1,3-difluoro-5-[4-(4-pent-1-enylcyclohexyl)cyclohexen-1-yl]benzene.
What is the SMILES notation for 1,3-difluoro-5-[4-(4-pent-1-enylcyclohexyl)cyclohexen-1-yl]benzene?
The canonical SMILES for 1,3-difluoro-5-[4-(4-pent-1-enylcyclohexyl)cyclohexen-1-yl]benzene is CCCC=CC1CCC(C2CC=C(c3cc(F)cc(F)c3)CC2)CC1.
What is the InChIKey of 1,3-difluoro-5-[4-(4-pent-1-enylcyclohexyl)cyclohexen-1-yl]benzene?
The InChIKey is TYSXKJAGXCKGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2/c1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-22(24)16-23(25)15-21/h4-5,12,14-19H,2-3,6-11,13H2,1H3.
What are the key properties of 1,3-difluoro-5-[4-(4-pent-1-enylcyclohexyl)cyclohexen-1-yl]benzene?
1,3-difluoro-5-[4-(4-pent-1-enylcyclohexyl)cyclohexen-1-yl]benzene has a molecular weight of 344.49 g/mol, XLogP of 7.31, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-[4-(4-pent-1-enylcyclohexyl)cyclohexen-1-yl]benzene is sourced from PubChem (CID 139890200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).