2-methoxy-6-[3-(trifluoromethyl)phenyl]naphthalene

C18H13F3O — CID 10614288

IUPAC2-methoxy-6-[3-(trifluoromethyl)phenyl]naphthalene
SMILESCOc1ccc2cc(-c3cccc(C(F)(F)F)c3)ccc2c1
InChIInChI=1S/C18H13F3O/c1-22-17-8-7-14-9-13(5-6-15(14)11-17)12-3-2-4-16(10-12)18(19,20)21/h2-11H,1H3
InChIKeyLKJUXTGDKQKWER-UHFFFAOYSA-N
MW302.30 g/mol
LogP5.53
Rot. Bonds2

About 2-methoxy-6-[3-(trifluoromethyl)phenyl]naphthalene

2-methoxy-6-[3-(trifluoromethyl)phenyl]naphthalene (PubChem CID 10614288) has the molecular formula C18H13F3O and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-methoxy-6-[3-(trifluoromethyl)phenyl]naphthalene.

Molecular Properties

Compound Name2-methoxy-6-[3-(trifluoromethyl)phenyl]naphthalene
PubChem CID10614288
Molecular FormulaC18H13F3O
Molecular Weight302.30 g/mol
Exact Mass302.09
IUPAC Name2-methoxy-6-[3-(trifluoromethyl)phenyl]naphthalene
SMILESCOc1ccc2cc(-c3cccc(C(F)(F)F)c3)ccc2c1
InChIInChI=1S/C18H13F3O/c1-22-17-8-7-14-9-13(5-6-15(14)11-17)12-3-2-4-16(10-12)18(19,20)21/h2-11H,1H3
InChIKeyLKJUXTGDKQKWER-UHFFFAOYSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.30
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[3-(trifluoromethyl)phenyl]naphthalene?
The IUPAC name of 2-methoxy-6-[3-(trifluoromethyl)phenyl]naphthalene (CID 10614288) is 2-methoxy-6-[3-(trifluoromethyl)phenyl]naphthalene.
What is the SMILES notation for 2-methoxy-6-[3-(trifluoromethyl)phenyl]naphthalene?
The canonical SMILES for 2-methoxy-6-[3-(trifluoromethyl)phenyl]naphthalene is COc1ccc2cc(-c3cccc(C(F)(F)F)c3)ccc2c1.
What is the InChIKey of 2-methoxy-6-[3-(trifluoromethyl)phenyl]naphthalene?
The InChIKey is LKJUXTGDKQKWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3O/c1-22-17-8-7-14-9-13(5-6-15(14)11-17)12-3-2-4-16(10-12)18(19,20)21/h2-11H,1H3.
What are the key properties of 2-methoxy-6-[3-(trifluoromethyl)phenyl]naphthalene?
2-methoxy-6-[3-(trifluoromethyl)phenyl]naphthalene has a molecular weight of 302.30 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[3-(trifluoromethyl)phenyl]naphthalene is sourced from PubChem (CID 10614288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).