2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene

C26H30F2 — CID 139961736

IUPAC2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene
SMILESCCCCC1CCC(c2ccc(C3=CCc4cc(F)c(F)cc4C3)cc2)CC1
InChIInChI=1S/C26H30F2/c1-2-3-4-18-5-7-19(8-6-18)20-9-11-21(12-10-20)22-13-14-23-16-25(27)26(28)17-24(23)15-22/h9-13,16-19H,2-8,14-15H2,1H3
InChIKeyHIXAFYCWUXEPPS-UHFFFAOYSA-N
MW380.52 g/mol
LogP7.61
Rot. Bonds5

About 2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene

2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene (PubChem CID 139961736) has the molecular formula C26H30F2 and a molecular weight of 380.52 g/mol. Its IUPAC name is 2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene.

Molecular Properties

Compound Name2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene
PubChem CID139961736
Molecular FormulaC26H30F2
Molecular Weight380.52 g/mol
Exact Mass380.23
IUPAC Name2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene
SMILESCCCCC1CCC(c2ccc(C3=CCc4cc(F)c(F)cc4C3)cc2)CC1
InChIInChI=1S/C26H30F2/c1-2-3-4-18-5-7-19(8-6-18)20-9-11-21(12-10-20)22-13-14-23-16-25(27)26(28)17-24(23)15-22/h9-13,16-19H,2-8,14-15H2,1H3
InChIKeyHIXAFYCWUXEPPS-UHFFFAOYSA-N
XLogP7.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.52
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6,7-difluoro-2-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139961787
2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene
CID 139961510
5,6,7-trifluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139948703
5,7-difluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139949006
1-[4-(4-butylcyclohexyl)phenyl]-2,4,5-trifluorobenzene
CID 67805684
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139961611
1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 20538184
1-[4-(4-butylcyclohexyl)phenyl]-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
CID 118912527
4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene
CID 139724444
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene
CID 139961519

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene?
The IUPAC name of 2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene (CID 139961736) is 2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene.
What is the SMILES notation for 2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene?
The canonical SMILES for 2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene is CCCCC1CCC(c2ccc(C3=CCc4cc(F)c(F)cc4C3)cc2)CC1.
What is the InChIKey of 2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene?
The InChIKey is HIXAFYCWUXEPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2/c1-2-3-4-18-5-7-19(8-6-18)20-9-11-21(12-10-20)22-13-14-23-16-25(27)26(28)17-24(23)15-22/h9-13,16-19H,2-8,14-15H2,1H3.
What are the key properties of 2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene?
2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene has a molecular weight of 380.52 g/mol, XLogP of 7.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene is sourced from PubChem (CID 139961736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).