3-[2-(2,3-difluoro-4-methylphenyl)ethyl]-1,2,8-trifluoro-7-methylnaphthalene

C20H15F5 — CID 130258085

IUPAC3-[2-(2,3-difluoro-4-methylphenyl)ethyl]-1,2,8-trifluoro-7-methylnaphthalene
SMILESCc1ccc(CCc2cc3ccc(C)c(F)c3c(F)c2F)c(F)c1F
InChIInChI=1S/C20H15F5/c1-10-4-6-13-9-14(19(24)20(25)15(13)16(10)21)8-7-12-5-3-11(2)17(22)18(12)23/h3-6,9H,7-8H2,1-2H3
InChIKeyDAHVDLXCILTGCB-UHFFFAOYSA-N
MW350.33 g/mol
LogP5.94
Rot. Bonds3

About 3-[2-(2,3-difluoro-4-methylphenyl)ethyl]-1,2,8-trifluoro-7-methylnaphthalene

3-[2-(2,3-difluoro-4-methylphenyl)ethyl]-1,2,8-trifluoro-7-methylnaphthalene (PubChem CID 130258085) has the molecular formula C20H15F5 and a molecular weight of 350.33 g/mol. Its IUPAC name is 3-[2-(2,3-difluoro-4-methylphenyl)ethyl]-1,2,8-trifluoro-7-methylnaphthalene.

Molecular Properties

Compound Name3-[2-(2,3-difluoro-4-methylphenyl)ethyl]-1,2,8-trifluoro-7-methylnaphthalene
PubChem CID130258085
Molecular FormulaC20H15F5
Molecular Weight350.33 g/mol
Exact Mass350.11
IUPAC Name3-[2-(2,3-difluoro-4-methylphenyl)ethyl]-1,2,8-trifluoro-7-methylnaphthalene
SMILESCc1ccc(CCc2cc3ccc(C)c(F)c3c(F)c2F)c(F)c1F
InChIInChI=1S/C20H15F5/c1-10-4-6-13-9-14(19(24)20(25)15(13)16(10)21)8-7-12-5-3-11(2)17(22)18(12)23/h3-6,9H,7-8H2,1-2H3
InChIKeyDAHVDLXCILTGCB-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.33
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-difluoro-4-methylphenyl)ethyl]-1,2,8-trifluoro-7-methylnaphthalene?
The IUPAC name of 3-[2-(2,3-difluoro-4-methylphenyl)ethyl]-1,2,8-trifluoro-7-methylnaphthalene (CID 130258085) is 3-[2-(2,3-difluoro-4-methylphenyl)ethyl]-1,2,8-trifluoro-7-methylnaphthalene.
What is the SMILES notation for 3-[2-(2,3-difluoro-4-methylphenyl)ethyl]-1,2,8-trifluoro-7-methylnaphthalene?
The canonical SMILES for 3-[2-(2,3-difluoro-4-methylphenyl)ethyl]-1,2,8-trifluoro-7-methylnaphthalene is Cc1ccc(CCc2cc3ccc(C)c(F)c3c(F)c2F)c(F)c1F.
What is the InChIKey of 3-[2-(2,3-difluoro-4-methylphenyl)ethyl]-1,2,8-trifluoro-7-methylnaphthalene?
The InChIKey is DAHVDLXCILTGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F5/c1-10-4-6-13-9-14(19(24)20(25)15(13)16(10)21)8-7-12-5-3-11(2)17(22)18(12)23/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 3-[2-(2,3-difluoro-4-methylphenyl)ethyl]-1,2,8-trifluoro-7-methylnaphthalene?
3-[2-(2,3-difluoro-4-methylphenyl)ethyl]-1,2,8-trifluoro-7-methylnaphthalene has a molecular weight of 350.33 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-difluoro-4-methylphenyl)ethyl]-1,2,8-trifluoro-7-methylnaphthalene is sourced from PubChem (CID 130258085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).