3-[2-(2,6-difluoro-4-methylphenyl)ethyl]-1-fluoro-7-methylnaphthalene

C20H17F3 — CID 166874449

IUPAC3-[2-(2,6-difluoro-4-methylphenyl)ethyl]-1-fluoro-7-methylnaphthalene
SMILESCc1cc(F)c(CCc2cc(F)c3cc(C)ccc3c2)c(F)c1
InChIInChI=1S/C20H17F3/c1-12-3-5-15-10-14(11-20(23)17(15)7-12)4-6-16-18(21)8-13(2)9-19(16)22/h3,5,7-11H,4,6H2,1-2H3
InChIKeyLEKBYGJFYPJRKJ-UHFFFAOYSA-N
MW314.35 g/mol
LogP5.66
Rot. Bonds3

About 3-[2-(2,6-difluoro-4-methylphenyl)ethyl]-1-fluoro-7-methylnaphthalene

3-[2-(2,6-difluoro-4-methylphenyl)ethyl]-1-fluoro-7-methylnaphthalene (PubChem CID 166874449) has the molecular formula C20H17F3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-[2-(2,6-difluoro-4-methylphenyl)ethyl]-1-fluoro-7-methylnaphthalene.

Molecular Properties

Compound Name3-[2-(2,6-difluoro-4-methylphenyl)ethyl]-1-fluoro-7-methylnaphthalene
PubChem CID166874449
Molecular FormulaC20H17F3
Molecular Weight314.35 g/mol
Exact Mass314.13
IUPAC Name3-[2-(2,6-difluoro-4-methylphenyl)ethyl]-1-fluoro-7-methylnaphthalene
SMILESCc1cc(F)c(CCc2cc(F)c3cc(C)ccc3c2)c(F)c1
InChIInChI=1S/C20H17F3/c1-12-3-5-15-10-14(11-20(23)17(15)7-12)4-6-16-18(21)8-13(2)9-19(16)22/h3,5,7-11H,4,6H2,1-2H3
InChIKeyLEKBYGJFYPJRKJ-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.35
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-[2-[4-[2-(2,6-difluoro-4-methylphenyl)ethyl]-2,6-difluorophenyl]ethynyl]-1,2,3-trifluoronaphthalene
CID 139859161
1-chloro-2-[2-(3,5-difluoro-4-methylphenyl)ethyl]-3-fluoro-5-methylbenzene
CID 129059215
azane;1-fluoro-7-methylnaphthalene
CID 174703926
7-chloro-1-fluoro-3-methylnaphthalene
CID 58839538
2,9-dimethylnaphtho[1,2-b]phenanthrene
CID 58426646
3-ethenyl-1-fluoro-7-methylnaphthalene
CID 58718822
1,3-difluoro-5-methyl-2-[(4-methylphenyl)methyl]benzene
CID 134273607
6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139873862
1-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)naphthalene
CID 58761244
2-[2-(3,5-difluoro-4-propoxyphenyl)ethyl]-5-[2-(2,6-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene
CID 139758585
6-[2-(2,6-difluoro-4-propylphenyl)ethyl]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139874812
methyl 4-[2-(2,6-difluoro-4-methylphenyl)ethyl]benzoate
CID 134272989

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-difluoro-4-methylphenyl)ethyl]-1-fluoro-7-methylnaphthalene?
The IUPAC name of 3-[2-(2,6-difluoro-4-methylphenyl)ethyl]-1-fluoro-7-methylnaphthalene (CID 166874449) is 3-[2-(2,6-difluoro-4-methylphenyl)ethyl]-1-fluoro-7-methylnaphthalene.
What is the SMILES notation for 3-[2-(2,6-difluoro-4-methylphenyl)ethyl]-1-fluoro-7-methylnaphthalene?
The canonical SMILES for 3-[2-(2,6-difluoro-4-methylphenyl)ethyl]-1-fluoro-7-methylnaphthalene is Cc1cc(F)c(CCc2cc(F)c3cc(C)ccc3c2)c(F)c1.
What is the InChIKey of 3-[2-(2,6-difluoro-4-methylphenyl)ethyl]-1-fluoro-7-methylnaphthalene?
The InChIKey is LEKBYGJFYPJRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3/c1-12-3-5-15-10-14(11-20(23)17(15)7-12)4-6-16-18(21)8-13(2)9-19(16)22/h3,5,7-11H,4,6H2,1-2H3.
What are the key properties of 3-[2-(2,6-difluoro-4-methylphenyl)ethyl]-1-fluoro-7-methylnaphthalene?
3-[2-(2,6-difluoro-4-methylphenyl)ethyl]-1-fluoro-7-methylnaphthalene has a molecular weight of 314.35 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-difluoro-4-methylphenyl)ethyl]-1-fluoro-7-methylnaphthalene is sourced from PubChem (CID 166874449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).