5,6-difluoro-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene

C17H16F2 — CID 139848451

IUPAC5,6-difluoro-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc(C2CCc3c(ccc(F)c3F)C2)cc1
InChIInChI=1S/C17H16F2/c1-11-2-4-12(5-3-11)13-6-8-15-14(10-13)7-9-16(18)17(15)19/h2-5,7,9,13H,6,8,10H2,1H3
InChIKeyPKHYEUXALJYNKW-UHFFFAOYSA-N
MW258.31 g/mol
LogP4.55
Rot. Bonds1

About 5,6-difluoro-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene

5,6-difluoro-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139848451) has the molecular formula C17H16F2 and a molecular weight of 258.31 g/mol. Its IUPAC name is 5,6-difluoro-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name5,6-difluoro-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139848451
Molecular FormulaC17H16F2
Molecular Weight258.31 g/mol
Exact Mass258.12
IUPAC Name5,6-difluoro-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc(C2CCc3c(ccc(F)c3F)C2)cc1
InChIInChI=1S/C17H16F2/c1-11-2-4-12(5-3-11)13-6-8-15-14(10-13)7-9-16(18)17(15)19/h2-5,7,9,13H,6,8,10H2,1H3
InChIKeyPKHYEUXALJYNKW-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-methylnaphthalene
CID 139849532
6-(4-fluorophenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852847
2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139849259
1-(3,4-dimethylcyclohex-3-en-1-yl)-4-methylbenzene
CID 151968969
6-[2-(2,3-difluorophenyl)ethynyl]-5-fluoro-2-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852272
5,6-difluoro-2-[2-(2-fluoro-4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 139849607
2-(2,6-difluoro-4-pentylphenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139847987
7,8-difluoro-2-(4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139848195
5,6-difluoro-2-[2-fluoro-4-(4-heptylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849831
1-fluoro-6-[4-(4-propylcyclohexyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848414
2-[2,6-difluoro-4-(4-hexylcyclohexyl)phenyl]-5,6-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139849095
5,6-difluoro-2-[6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 139869718

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 5,6-difluoro-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene (CID 139848451) is 5,6-difluoro-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 5,6-difluoro-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 5,6-difluoro-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene is Cc1ccc(C2CCc3c(ccc(F)c3F)C2)cc1.
What is the InChIKey of 5,6-difluoro-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is PKHYEUXALJYNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2/c1-11-2-4-12(5-3-11)13-6-8-15-14(10-13)7-9-16(18)17(15)19/h2-5,7,9,13H,6,8,10H2,1H3.
What are the key properties of 5,6-difluoro-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene?
5,6-difluoro-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 258.31 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139848451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).