3-naphthalen-1-yl-1-(trifluoromethyl)naphthalene

C21H13F3 — CID 173319096

IUPAC3-naphthalen-1-yl-1-(trifluoromethyl)naphthalene
SMILESFC(F)(F)c1cc(-c2cccc3ccccc23)cc2ccccc12
InChIInChI=1S/C21H13F3/c22-21(23,24)20-13-16(12-15-7-2-4-10-19(15)20)18-11-5-8-14-6-1-3-9-17(14)18/h1-13H
InChIKeyAVASVYPMZORPEA-UHFFFAOYSA-N
MW322.33 g/mol
LogP6.68
Rot. Bonds1

About 3-naphthalen-1-yl-1-(trifluoromethyl)naphthalene

3-naphthalen-1-yl-1-(trifluoromethyl)naphthalene (PubChem CID 173319096) has the molecular formula C21H13F3 and a molecular weight of 322.33 g/mol. Its IUPAC name is 3-naphthalen-1-yl-1-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name3-naphthalen-1-yl-1-(trifluoromethyl)naphthalene
PubChem CID173319096
Molecular FormulaC21H13F3
Molecular Weight322.33 g/mol
Exact Mass322.10
IUPAC Name3-naphthalen-1-yl-1-(trifluoromethyl)naphthalene
SMILESFC(F)(F)c1cc(-c2cccc3ccccc23)cc2ccccc12
InChIInChI=1S/C21H13F3/c22-21(23,24)20-13-16(12-15-7-2-4-10-19(15)20)18-11-5-8-14-6-1-3-9-17(14)18/h1-13H
InChIKeyAVASVYPMZORPEA-UHFFFAOYSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.33
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-naphthalen-1-yl-1-(trifluoromethyl)naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293477
1,5-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene
CID 129213092
2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene
CID 169293839
9-naphthalen-1-ylphenanthrene
CID 20606742
1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
2-naphthalen-1-ylanthracene
CID 2748705
1-[3-naphthalen-2-yl-5-[4-[4-(3-naphthalen-1-yl-5-naphthalen-2-ylphenyl)phenyl]phenyl]phenyl]naphthalene
CID 18710973
3-(3-chlorophenyl)-1-naphthalen-1-ylnaphthalene
CID 171490762
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 143886225

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-1-(trifluoromethyl)naphthalene?
The IUPAC name of 3-naphthalen-1-yl-1-(trifluoromethyl)naphthalene (CID 173319096) is 3-naphthalen-1-yl-1-(trifluoromethyl)naphthalene.
What is the SMILES notation for 3-naphthalen-1-yl-1-(trifluoromethyl)naphthalene?
The canonical SMILES for 3-naphthalen-1-yl-1-(trifluoromethyl)naphthalene is FC(F)(F)c1cc(-c2cccc3ccccc23)cc2ccccc12.
What is the InChIKey of 3-naphthalen-1-yl-1-(trifluoromethyl)naphthalene?
The InChIKey is AVASVYPMZORPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3/c22-21(23,24)20-13-16(12-15-7-2-4-10-19(15)20)18-11-5-8-14-6-1-3-9-17(14)18/h1-13H.
What are the key properties of 3-naphthalen-1-yl-1-(trifluoromethyl)naphthalene?
3-naphthalen-1-yl-1-(trifluoromethyl)naphthalene has a molecular weight of 322.33 g/mol, XLogP of 6.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-1-(trifluoromethyl)naphthalene is sourced from PubChem (CID 173319096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).