2-fluoro-4-pent-3-enyl-1-[4-(4-propylcyclohexyl)phenyl]benzene

C26H33F — CID 67701116

IUPAC2-fluoro-4-pent-3-enyl-1-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESCC=CCCc1ccc(-c2ccc(C3CCC(CCC)CC3)cc2)c(F)c1
InChIInChI=1S/C26H33F/c1-3-5-6-8-21-11-18-25(26(27)19-21)24-16-14-23(15-17-24)22-12-9-20(7-4-2)10-13-22/h3,5,11,14-20,22H,4,6-10,12-13H2,1-2H3
InChIKeyZZOZXRVQBWUSBT-UHFFFAOYSA-N
MW364.55 g/mol
LogP8.08
Rot. Bonds7

About 2-fluoro-4-pent-3-enyl-1-[4-(4-propylcyclohexyl)phenyl]benzene

2-fluoro-4-pent-3-enyl-1-[4-(4-propylcyclohexyl)phenyl]benzene (PubChem CID 67701116) has the molecular formula C26H33F and a molecular weight of 364.55 g/mol. Its IUPAC name is 2-fluoro-4-pent-3-enyl-1-[4-(4-propylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-4-pent-3-enyl-1-[4-(4-propylcyclohexyl)phenyl]benzene
PubChem CID67701116
Molecular FormulaC26H33F
Molecular Weight364.55 g/mol
Exact Mass364.26
IUPAC Name2-fluoro-4-pent-3-enyl-1-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESCC=CCCc1ccc(-c2ccc(C3CCC(CCC)CC3)cc2)c(F)c1
InChIInChI=1S/C26H33F/c1-3-5-6-8-21-11-18-25(26(27)19-21)24-16-14-23(15-17-24)22-12-9-20(7-4-2)10-13-22/h3,5,11,14-20,22H,4,6-10,12-13H2,1-2H3
InChIKeyZZOZXRVQBWUSBT-UHFFFAOYSA-N
XLogP8.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.55
LogP ≤ 58.08
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

2-fluoro-4-propyl-1-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]benzene
CID 67943668
2-fluoro-4-(4-methylcyclohexyl)-1-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 139749385
2-but-3-enyl-6-[4-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867864
2-fluoro-4-[4-[4-(methoxymethyl)cyclohexyl]butyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 54397674
2,3-difluoro-1-[2-fluoro-4-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethyl]phenyl]-4-propylbenzene
CID 154607361
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-pent-3-enylbenzene
CID 77345418
1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]-2-methylbenzene
CID 70950773
2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene
CID 54061362
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
4-but-3-enyl-2-fluoro-1-[4-(4-propoxycyclohexyl)phenyl]benzene
CID 139749386
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-methylbenzene
CID 67729692

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-pent-3-enyl-1-[4-(4-propylcyclohexyl)phenyl]benzene?
The IUPAC name of 2-fluoro-4-pent-3-enyl-1-[4-(4-propylcyclohexyl)phenyl]benzene (CID 67701116) is 2-fluoro-4-pent-3-enyl-1-[4-(4-propylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 2-fluoro-4-pent-3-enyl-1-[4-(4-propylcyclohexyl)phenyl]benzene?
The canonical SMILES for 2-fluoro-4-pent-3-enyl-1-[4-(4-propylcyclohexyl)phenyl]benzene is CC=CCCc1ccc(-c2ccc(C3CCC(CCC)CC3)cc2)c(F)c1.
What is the InChIKey of 2-fluoro-4-pent-3-enyl-1-[4-(4-propylcyclohexyl)phenyl]benzene?
The InChIKey is ZZOZXRVQBWUSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F/c1-3-5-6-8-21-11-18-25(26(27)19-21)24-16-14-23(15-17-24)22-12-9-20(7-4-2)10-13-22/h3,5,11,14-20,22H,4,6-10,12-13H2,1-2H3.
What are the key properties of 2-fluoro-4-pent-3-enyl-1-[4-(4-propylcyclohexyl)phenyl]benzene?
2-fluoro-4-pent-3-enyl-1-[4-(4-propylcyclohexyl)phenyl]benzene has a molecular weight of 364.55 g/mol, XLogP of 8.08, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-pent-3-enyl-1-[4-(4-propylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 67701116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).