2-[2,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene

C26H26F4 — CID 139967142

IUPAC2-[2,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene
SMILESC/C=C/CCC1CCC(c2cc(F)c(C3=Cc4cc(F)c(F)cc4C3)c(F)c2)CC1
InChIInChI=1S/C26H26F4/c1-2-3-4-5-16-6-8-17(9-7-16)20-14-24(29)26(25(30)15-20)21-10-18-12-22(27)23(28)13-19(18)11-21/h2-3,10,12-17H,4-9,11H2,1H3/b3-2+
InChIKeyAFEJIBCANZMTLD-NSCUHMNNSA-N
MW414.49 g/mol
LogP7.97
Rot. Bonds5

About 2-[2,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene

2-[2,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene (PubChem CID 139967142) has the molecular formula C26H26F4 and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene.

Molecular Properties

Compound Name2-[2,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene
PubChem CID139967142
Molecular FormulaC26H26F4
Molecular Weight414.49 g/mol
Exact Mass414.20
IUPAC Name2-[2,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene
SMILESC/C=C/CCC1CCC(c2cc(F)c(C3=Cc4cc(F)c(F)cc4C3)c(F)c2)CC1
InChIInChI=1S/C26H26F4/c1-2-3-4-5-16-6-8-17(9-7-16)20-14-24(29)26(25(30)15-20)21-10-18-12-22(27)23(28)13-19(18)11-21/h2-3,10,12-17H,4-9,11H2,1H3/b3-2+
InChIKeyAFEJIBCANZMTLD-NSCUHMNNSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[2,6-difluoro-4-(4-nonylcyclohexyl)phenyl]-5,6-difluoro-1H-indene
CID 139967145
2-[2,6-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene
CID 139967156
1,2,3-trifluoro-5-[4-[2-(4-pent-3-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54176801
2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1H-indene
CID 139967190
2-[2,6-difluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene
CID 139967120
2-[chloro(difluoro)methyl]-1,3-difluoro-5-[4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]cyclohexyl]benzene
CID 20654096
2-[2,6-difluoro-4-[2-(4-pentylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene
CID 139967211
1,2,3-trifluoro-5-[4-[2-(4-hex-4-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54387673
2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene
CID 139961510
6-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-3-fluoro-7,8-dihydronaphthalene-2-carbonitrile
CID 139961405
2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3,5-difluorophenyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866848
1,3-difluoro-5-[4-[2-[4-[(E)-hept-5-enyl]cyclohexyl]ethyl]cyclohexyl]-2-(trifluoromethyl)benzene
CID 67588902

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene?
The IUPAC name of 2-[2,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene (CID 139967142) is 2-[2,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene.
What is the SMILES notation for 2-[2,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene?
The canonical SMILES for 2-[2,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene is C/C=C/CCC1CCC(c2cc(F)c(C3=Cc4cc(F)c(F)cc4C3)c(F)c2)CC1.
What is the InChIKey of 2-[2,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene?
The InChIKey is AFEJIBCANZMTLD-NSCUHMNNSA-N. The full InChI is InChI=1S/C26H26F4/c1-2-3-4-5-16-6-8-17(9-7-16)20-14-24(29)26(25(30)15-20)21-10-18-12-22(27)23(28)13-19(18)11-21/h2-3,10,12-17H,4-9,11H2,1H3/b3-2+.
What are the key properties of 2-[2,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene?
2-[2,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene has a molecular weight of 414.49 g/mol, XLogP of 7.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene is sourced from PubChem (CID 139967142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).