3-[5,8-dimethyl-4-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]thiophene

C23H17F3S — CID 132606111

IUPAC3-[5,8-dimethyl-4-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]thiophene
SMILESCc1ccc(C)c2c(-c3ccc(C(F)(F)F)cc3)cc(-c3ccsc3)cc12
InChIInChI=1S/C23H17F3S/c1-14-3-4-15(2)22-20(14)11-18(17-9-10-27-13-17)12-21(22)16-5-7-19(8-6-16)23(24,25)26/h3-13H,1-2H3
InChIKeyJXUMKYYQVQNBDP-UHFFFAOYSA-N
MW382.45 g/mol
LogP7.87
Rot. Bonds2

About 3-[5,8-dimethyl-4-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]thiophene

3-[5,8-dimethyl-4-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]thiophene (PubChem CID 132606111) has the molecular formula C23H17F3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 3-[5,8-dimethyl-4-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]thiophene.

Molecular Properties

Compound Name3-[5,8-dimethyl-4-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]thiophene
PubChem CID132606111
Molecular FormulaC23H17F3S
Molecular Weight382.45 g/mol
Exact Mass382.10
IUPAC Name3-[5,8-dimethyl-4-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]thiophene
SMILESCc1ccc(C)c2c(-c3ccc(C(F)(F)F)cc3)cc(-c3ccsc3)cc12
InChIInChI=1S/C23H17F3S/c1-14-3-4-15(2)22-20(14)11-18(17-9-10-27-13-17)12-21(22)16-5-7-19(8-6-16)23(24,25)26/h3-13H,1-2H3
InChIKeyJXUMKYYQVQNBDP-UHFFFAOYSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.45
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[5,8-dimethyl-4-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]thiophene?
The IUPAC name of 3-[5,8-dimethyl-4-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]thiophene (CID 132606111) is 3-[5,8-dimethyl-4-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]thiophene.
What is the SMILES notation for 3-[5,8-dimethyl-4-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]thiophene?
The canonical SMILES for 3-[5,8-dimethyl-4-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]thiophene is Cc1ccc(C)c2c(-c3ccc(C(F)(F)F)cc3)cc(-c3ccsc3)cc12.
What is the InChIKey of 3-[5,8-dimethyl-4-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]thiophene?
The InChIKey is JXUMKYYQVQNBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3S/c1-14-3-4-15(2)22-20(14)11-18(17-9-10-27-13-17)12-21(22)16-5-7-19(8-6-16)23(24,25)26/h3-13H,1-2H3.
What are the key properties of 3-[5,8-dimethyl-4-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]thiophene?
3-[5,8-dimethyl-4-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]thiophene has a molecular weight of 382.45 g/mol, XLogP of 7.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,8-dimethyl-4-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]thiophene is sourced from PubChem (CID 132606111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).