5,6-difluoro-2-[2-(2-fluoro-4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene

C19H19F3 — CID 139849607

IUPAC5,6-difluoro-2-[2-(2-fluoro-4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc(CCC2CCc3c(ccc(F)c3F)C2)c(F)c1
InChIInChI=1S/C19H19F3/c1-12-2-5-14(18(21)10-12)6-3-13-4-8-16-15(11-13)7-9-17(20)19(16)22/h2,5,7,9-10,13H,3-4,6,8,11H2,1H3
InChIKeyLGNVUIQLEMWTGR-UHFFFAOYSA-N
MW304.36 g/mol
LogP5.15
Rot. Bonds3

About 5,6-difluoro-2-[2-(2-fluoro-4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene

5,6-difluoro-2-[2-(2-fluoro-4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 139849607) has the molecular formula C19H19F3 and a molecular weight of 304.36 g/mol. Its IUPAC name is 5,6-difluoro-2-[2-(2-fluoro-4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name5,6-difluoro-2-[2-(2-fluoro-4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID139849607
Molecular FormulaC19H19F3
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name5,6-difluoro-2-[2-(2-fluoro-4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc(CCC2CCc3c(ccc(F)c3F)C2)c(F)c1
InChIInChI=1S/C19H19F3/c1-12-2-5-14(18(21)10-12)6-3-13-4-8-16-15(11-13)7-9-17(20)19(16)22/h2,5,7,9-10,13H,3-4,6,8,11H2,1H3
InChIKeyLGNVUIQLEMWTGR-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.36
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,7-difluoro-2-[2-(2-fluoro-4-methylphenyl)ethyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848524
6-[2-(2,6-difluoro-4-methylphenyl)ethyl]-1-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848018
5,6-difluoro-2-[2-(4-heptylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 139849152
5,6-difluoro-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139848451
2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-methylnaphthalene
CID 139849532
2-ethyl-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene
CID 58719081
2-[2-(4-butyl-2-fluorophenyl)ethyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139849003
2-butyl-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139852102
6-[2-(2,6-difluoro-4-propylphenyl)ethyl]-1-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848441
2-[2-(4-ethyl-2-fluorophenyl)ethyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848502
2-[2-(4-butyl-2,6-difluorophenyl)ethyl]-7,8-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139849189
5,6-difluoro-2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 122609107

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-[2-(2-fluoro-4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 5,6-difluoro-2-[2-(2-fluoro-4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene (CID 139849607) is 5,6-difluoro-2-[2-(2-fluoro-4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 5,6-difluoro-2-[2-(2-fluoro-4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 5,6-difluoro-2-[2-(2-fluoro-4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene is Cc1ccc(CCC2CCc3c(ccc(F)c3F)C2)c(F)c1.
What is the InChIKey of 5,6-difluoro-2-[2-(2-fluoro-4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is LGNVUIQLEMWTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3/c1-12-2-5-14(18(21)10-12)6-3-13-4-8-16-15(11-13)7-9-17(20)19(16)22/h2,5,7,9-10,13H,3-4,6,8,11H2,1H3.
What are the key properties of 5,6-difluoro-2-[2-(2-fluoro-4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
5,6-difluoro-2-[2-(2-fluoro-4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 304.36 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-[2-(2-fluoro-4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139849607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).