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

C24H22F4 — CID 139967156

IUPAC2-[2,6-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene
SMILESC/C=C/C1CCC(c2cc(F)c(C3=Cc4cc(F)c(F)cc4C3)c(F)c2)CC1
InChIInChI=1S/C24H22F4/c1-2-3-14-4-6-15(7-5-14)18-12-22(27)24(23(28)13-18)19-8-16-10-20(25)21(26)11-17(16)9-19/h2-3,8,10-15H,4-7,9H2,1H3/b3-2+
InChIKeySTISCXFCTZOFMH-NSCUHMNNSA-N
MW386.43 g/mol
LogP7.19
Rot. Bonds3

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

2-[2,6-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene (PubChem CID 139967156) has the molecular formula C24H22F4 and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene.

Molecular Properties

Compound Name2-[2,6-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene
PubChem CID139967156
Molecular FormulaC24H22F4
Molecular Weight386.43 g/mol
Exact Mass386.17
IUPAC Name2-[2,6-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene
SMILESC/C=C/C1CCC(c2cc(F)c(C3=Cc4cc(F)c(F)cc4C3)c(F)c2)CC1
InChIInChI=1S/C24H22F4/c1-2-3-14-4-6-15(7-5-14)18-12-22(27)24(23(28)13-18)19-8-16-10-20(25)21(26)11-17(16)9-19/h2-3,8,10-15H,4-7,9H2,1H3/b3-2+
InChIKeySTISCXFCTZOFMH-NSCUHMNNSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 57.19
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-[(E)-pent-3-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene
CID 139967142
2-[2,6-difluoro-4-(4-nonylcyclohexyl)phenyl]-5,6-difluoro-1H-indene
CID 139967145
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
1,2-difluoro-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]benzene
CID 54158717
2-(3,5-difluoro-4-methylphenyl)-6-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868610
1,3-difluoro-5-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]-2-(trifluoromethoxy)benzene
CID 67589680
1,2,3-trifluoro-5-[2-fluoro-4-(4-prop-1-enylcyclohexyl)phenyl]benzene
CID 54486923
2-[4-(4-chloro-3,5-difluorophenyl)cyclohexyl]-6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139870239
2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene
CID 139961510
3-[2-fluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]prop-2-ynenitrile
CID 22967474
2-chloro-1-fluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]benzene
CID 19095005

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene?
The IUPAC name of 2-[2,6-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene (CID 139967156) is 2-[2,6-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene.
What is the SMILES notation for 2-[2,6-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene?
The canonical SMILES for 2-[2,6-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene is C/C=C/C1CCC(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)-prop-1-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene?
The InChIKey is STISCXFCTZOFMH-NSCUHMNNSA-N. The full InChI is InChI=1S/C24H22F4/c1-2-3-14-4-6-15(7-5-14)18-12-22(27)24(23(28)13-18)19-8-16-10-20(25)21(26)11-17(16)9-19/h2-3,8,10-15H,4-7,9H2,1H3/b3-2+.
What are the key properties of 2-[2,6-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene?
2-[2,6-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene has a molecular weight of 386.43 g/mol, XLogP of 7.19, 3 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)-prop-1-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene is sourced from PubChem (CID 139967156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).