7,8-difluoro-2-(4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene

C23H28F2 — CID 139848195

IUPAC7,8-difluoro-2-(4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCCCc1ccc(C2CCc3ccc(F)c(F)c3C2)cc1
InChIInChI=1S/C23H28F2/c1-2-3-4-5-6-7-17-8-10-18(11-9-17)20-13-12-19-14-15-22(24)23(25)21(19)16-20/h8-11,14-15,20H,2-7,12-13,16H2,1H3
InChIKeyNSVDAINANUQSNS-UHFFFAOYSA-N
MW342.47 g/mol
LogP6.75
Rot. Bonds7

About 7,8-difluoro-2-(4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene

7,8-difluoro-2-(4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139848195) has the molecular formula C23H28F2 and a molecular weight of 342.47 g/mol. Its IUPAC name is 7,8-difluoro-2-(4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name7,8-difluoro-2-(4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139848195
Molecular FormulaC23H28F2
Molecular Weight342.47 g/mol
Exact Mass342.22
IUPAC Name7,8-difluoro-2-(4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCCCc1ccc(C2CCc3ccc(F)c(F)c3C2)cc1
InChIInChI=1S/C23H28F2/c1-2-3-4-5-6-7-17-8-10-18(11-9-17)20-13-12-19-14-15-22(24)23(25)21(19)16-20/h8-11,14-15,20H,2-7,12-13,16H2,1H3
InChIKeyNSVDAINANUQSNS-UHFFFAOYSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.47
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(2,3-difluorophenyl)ethynyl]-5-fluoro-2-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852272
5,6-difluoro-2-[2-(4-heptylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 139849152
2-(2,6-difluoro-4-pentylphenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139847987
2-(4-butylphenyl)-6-[2-(3,4,5-trifluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139852995
6-[2-(3,4-difluorophenyl)ethynyl]-7-fluoro-2-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852206
2-(4-butylphenyl)-6-[2-(2,3-difluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139853434
5,7-difluoro-2-(4-pentylphenyl)-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139849085
1,2-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene
CID 139846714
2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-hexylnaphthalene
CID 139849579
2-(4-pentylphenyl)-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139849344
2-[2-(4-butyl-2,6-difluorophenyl)ethyl]-7,8-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139849189
1-(4-ethylcyclohexyl)-4-nonylbenzene
CID 20683410

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-2-(4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 7,8-difluoro-2-(4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene (CID 139848195) is 7,8-difluoro-2-(4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 7,8-difluoro-2-(4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 7,8-difluoro-2-(4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene is CCCCCCCc1ccc(C2CCc3ccc(F)c(F)c3C2)cc1.
What is the InChIKey of 7,8-difluoro-2-(4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is NSVDAINANUQSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2/c1-2-3-4-5-6-7-17-8-10-18(11-9-17)20-13-12-19-14-15-22(24)23(25)21(19)16-20/h8-11,14-15,20H,2-7,12-13,16H2,1H3.
What are the key properties of 7,8-difluoro-2-(4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene?
7,8-difluoro-2-(4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 342.47 g/mol, XLogP of 6.75, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-2-(4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139848195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).