1-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methylnaphthalene

C18H11F5O — CID 23565854

IUPAC1-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methylnaphthalene
SMILESCc1ccc2c(F)c(-c3ccc(OC(F)(F)F)c(F)c3)ccc2c1
InChIInChI=1S/C18H11F5O/c1-10-2-5-13-11(8-10)3-6-14(17(13)20)12-4-7-16(15(19)9-12)24-18(21,22)23/h2-9H,1H3
InChIKeyRDLPHVYTTXHMEL-UHFFFAOYSA-N
MW338.28 g/mol
LogP5.99
Rot. Bonds2

About 1-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methylnaphthalene

1-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methylnaphthalene (PubChem CID 23565854) has the molecular formula C18H11F5O and a molecular weight of 338.28 g/mol. Its IUPAC name is 1-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methylnaphthalene.

Molecular Properties

Compound Name1-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methylnaphthalene
PubChem CID23565854
Molecular FormulaC18H11F5O
Molecular Weight338.28 g/mol
Exact Mass338.07
IUPAC Name1-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methylnaphthalene
SMILESCc1ccc2c(F)c(-c3ccc(OC(F)(F)F)c(F)c3)ccc2c1
InChIInChI=1S/C18H11F5O/c1-10-2-5-13-11(8-10)3-6-14(17(13)20)12-4-7-16(15(19)9-12)24-18(21,22)23/h2-9H,1H3
InChIKeyRDLPHVYTTXHMEL-UHFFFAOYSA-N
XLogP5.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.28
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methylnaphthalene?
The IUPAC name of 1-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methylnaphthalene (CID 23565854) is 1-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methylnaphthalene.
What is the SMILES notation for 1-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methylnaphthalene?
The canonical SMILES for 1-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methylnaphthalene is Cc1ccc2c(F)c(-c3ccc(OC(F)(F)F)c(F)c3)ccc2c1.
What is the InChIKey of 1-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methylnaphthalene?
The InChIKey is RDLPHVYTTXHMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F5O/c1-10-2-5-13-11(8-10)3-6-14(17(13)20)12-4-7-16(15(19)9-12)24-18(21,22)23/h2-9H,1H3.
What are the key properties of 1-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methylnaphthalene?
1-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methylnaphthalene has a molecular weight of 338.28 g/mol, XLogP of 5.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methylnaphthalene is sourced from PubChem (CID 23565854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).