6-fluoro-1,1,4,4-tetramethyl-7-[2-(4-methylphenyl)ethynyl]-2,3-dihydronaphthalene

C23H25F — CID 19786975

IUPAC6-fluoro-1,1,4,4-tetramethyl-7-[2-(4-methylphenyl)ethynyl]-2,3-dihydronaphthalene
SMILESCc1ccc(C#Cc2cc3c(cc2F)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C23H25F/c1-16-6-8-17(9-7-16)10-11-18-14-19-20(15-21(18)24)23(4,5)13-12-22(19,2)3/h6-9,14-15H,12-13H2,1-5H3
InChIKeyJAFASFNFAYSDOH-UHFFFAOYSA-N
MW320.45 g/mol
LogP5.88
Rot. Bonds

About 6-fluoro-1,1,4,4-tetramethyl-7-[2-(4-methylphenyl)ethynyl]-2,3-dihydronaphthalene

6-fluoro-1,1,4,4-tetramethyl-7-[2-(4-methylphenyl)ethynyl]-2,3-dihydronaphthalene (PubChem CID 19786975) has the molecular formula C23H25F and a molecular weight of 320.45 g/mol. Its IUPAC name is 6-fluoro-1,1,4,4-tetramethyl-7-[2-(4-methylphenyl)ethynyl]-2,3-dihydronaphthalene.

Molecular Properties

Compound Name6-fluoro-1,1,4,4-tetramethyl-7-[2-(4-methylphenyl)ethynyl]-2,3-dihydronaphthalene
PubChem CID19786975
Molecular FormulaC23H25F
Molecular Weight320.45 g/mol
Exact Mass320.19
IUPAC Name6-fluoro-1,1,4,4-tetramethyl-7-[2-(4-methylphenyl)ethynyl]-2,3-dihydronaphthalene
SMILESCc1ccc(C#Cc2cc3c(cc2F)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C23H25F/c1-16-6-8-17(9-7-16)10-11-18-14-19-20(15-21(18)24)23(4,5)13-12-22(19,2)3/h6-9,14-15H,12-13H2,1-5H3
InChIKeyJAFASFNFAYSDOH-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.45
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-fluoro-4-methylphenyl)ethynyl]-2,5-dimethyl-4-[2-(4-methylphenyl)ethynyl]benzene
CID 21359625
4-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethynyl]benzoic acid
CID 19786971
1-[2-[4-[2-(2,4-dimethylphenyl)ethynyl]phenyl]ethynyl]-2-fluoro-4-methylbenzene
CID 21359661
4-ethyl-2-fluoro-1-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene
CID 22112344
1-[2-(4-bromophenyl)ethynyl]-2-fluoro-4-methylbenzene
CID 22922848
1-[2-(3,5-difluoro-4-methylphenyl)ethynyl]-2,5-dimethyl-4-[2-(4-methylphenyl)ethynyl]benzene
CID 21359640
5-[2-(2-fluoro-4-methylphenyl)ethynyl]-1,3-dimethyl-2-[2-(4-methylphenyl)ethynyl]benzene
CID 21360172
2-[2-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]ethynyl]-1,3,5-trimethylbenzene;1,3,5-trimethyl-2-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene
CID 91012737
5-methyl-2-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine
CID 157252538
2-bromo-1,5-difluoro-3-[2-(4-methylphenyl)ethynyl]benzene
CID 102486045
methane;4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]benzoic acid
CID 158237422
1-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-2-fluoro-4-methylbenzene
CID 22112182

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,1,4,4-tetramethyl-7-[2-(4-methylphenyl)ethynyl]-2,3-dihydronaphthalene?
The IUPAC name of 6-fluoro-1,1,4,4-tetramethyl-7-[2-(4-methylphenyl)ethynyl]-2,3-dihydronaphthalene (CID 19786975) is 6-fluoro-1,1,4,4-tetramethyl-7-[2-(4-methylphenyl)ethynyl]-2,3-dihydronaphthalene.
What is the SMILES notation for 6-fluoro-1,1,4,4-tetramethyl-7-[2-(4-methylphenyl)ethynyl]-2,3-dihydronaphthalene?
The canonical SMILES for 6-fluoro-1,1,4,4-tetramethyl-7-[2-(4-methylphenyl)ethynyl]-2,3-dihydronaphthalene is Cc1ccc(C#Cc2cc3c(cc2F)C(C)(C)CCC3(C)C)cc1.
What is the InChIKey of 6-fluoro-1,1,4,4-tetramethyl-7-[2-(4-methylphenyl)ethynyl]-2,3-dihydronaphthalene?
The InChIKey is JAFASFNFAYSDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F/c1-16-6-8-17(9-7-16)10-11-18-14-19-20(15-21(18)24)23(4,5)13-12-22(19,2)3/h6-9,14-15H,12-13H2,1-5H3.
What are the key properties of 6-fluoro-1,1,4,4-tetramethyl-7-[2-(4-methylphenyl)ethynyl]-2,3-dihydronaphthalene?
6-fluoro-1,1,4,4-tetramethyl-7-[2-(4-methylphenyl)ethynyl]-2,3-dihydronaphthalene has a molecular weight of 320.45 g/mol, XLogP of 5.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,1,4,4-tetramethyl-7-[2-(4-methylphenyl)ethynyl]-2,3-dihydronaphthalene is sourced from PubChem (CID 19786975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).