1,2-difluoro-4-(3-pent-1-enylcyclohexyl)benzene

C17H22F2 — CID 57091886

IUPAC1,2-difluoro-4-(3-pent-1-enylcyclohexyl)benzene
SMILESCCCC=CC1CCCC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H22F2/c1-2-3-4-6-13-7-5-8-14(11-13)15-9-10-16(18)17(19)12-15/h4,6,9-10,12-14H,2-3,5,7-8,11H2,1H3
InChIKeyKHEJFOIFFPAVLB-UHFFFAOYSA-N
MW264.36 g/mol
LogP5.59
Rot. Bonds4

About 1,2-difluoro-4-(3-pent-1-enylcyclohexyl)benzene

1,2-difluoro-4-(3-pent-1-enylcyclohexyl)benzene (PubChem CID 57091886) has the molecular formula C17H22F2 and a molecular weight of 264.36 g/mol. Its IUPAC name is 1,2-difluoro-4-(3-pent-1-enylcyclohexyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-4-(3-pent-1-enylcyclohexyl)benzene
PubChem CID57091886
Molecular FormulaC17H22F2
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name1,2-difluoro-4-(3-pent-1-enylcyclohexyl)benzene
SMILESCCCC=CC1CCCC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H22F2/c1-2-3-4-6-13-7-5-8-14(11-13)15-9-10-16(18)17(19)12-15/h4,6,9-10,12-14H,2-3,5,7-8,11H2,1H3
InChIKeyKHEJFOIFFPAVLB-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.36
LogP ≤ 55.59
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-[4-(3,4-difluorophenyl)cyclohexyl]-5-pent-1-enyl-1,3-dioxane
CID 54191136
1,2-difluoro-4-[4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 19779944
2-(4-chloro-3-fluorophenyl)-7-[(E)-pent-1-enyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 22045322
2-(3,4-difluorophenyl)-5-[4-[(E)-pent-1-enyl]cyclohexyl]pyridine
CID 19094928
2-(3,4-difluorophenyl)-5-(4-pent-1-enylcyclohexyl)pyridine
CID 67823755
1,2-difluoro-4-[4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 19695333
1,2-difluoro-4-[4-[(1E,3E)-hexa-1,3-dienyl]cyclohexyl]benzene
CID 22915776
1-chloro-2-fluoro-4-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 19094990
2-(3,4-difluorophenyl)-5-[2-[5-[(E)-pent-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane
CID 22910649
2-(3,5-difluorophenyl)-6-[(E)-pent-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384064
1,2-difluoro-4-(3-propylcyclobutyl)benzene
CID 19387615
1-(3,4-difluorophenyl)-4-(4-ethylcyclohexyl)cycloheptane
CID 130256431

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-(3-pent-1-enylcyclohexyl)benzene?
The IUPAC name of 1,2-difluoro-4-(3-pent-1-enylcyclohexyl)benzene (CID 57091886) is 1,2-difluoro-4-(3-pent-1-enylcyclohexyl)benzene.
What is the SMILES notation for 1,2-difluoro-4-(3-pent-1-enylcyclohexyl)benzene?
The canonical SMILES for 1,2-difluoro-4-(3-pent-1-enylcyclohexyl)benzene is CCCC=CC1CCCC(c2ccc(F)c(F)c2)C1.
What is the InChIKey of 1,2-difluoro-4-(3-pent-1-enylcyclohexyl)benzene?
The InChIKey is KHEJFOIFFPAVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2/c1-2-3-4-6-13-7-5-8-14(11-13)15-9-10-16(18)17(19)12-15/h4,6,9-10,12-14H,2-3,5,7-8,11H2,1H3.
What are the key properties of 1,2-difluoro-4-(3-pent-1-enylcyclohexyl)benzene?
1,2-difluoro-4-(3-pent-1-enylcyclohexyl)benzene has a molecular weight of 264.36 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-(3-pent-1-enylcyclohexyl)benzene is sourced from PubChem (CID 57091886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).