2-(4-fluoro-2-methylnaphthalen-1-yl)-4-methylthiophene

C16H13FS — CID 91472224

IUPAC2-(4-fluoro-2-methylnaphthalen-1-yl)-4-methylthiophene
SMILESCc1csc(-c2c(C)cc(F)c3ccccc23)c1
InChIInChI=1S/C16H13FS/c1-10-7-15(18-9-10)16-11(2)8-14(17)12-5-3-4-6-13(12)16/h3-9H,1-2H3
InChIKeyBLFJRHKUDHTYCV-UHFFFAOYSA-N
MW256.34 g/mol
LogP5.32
Rot. Bonds1

About 2-(4-fluoro-2-methylnaphthalen-1-yl)-4-methylthiophene

2-(4-fluoro-2-methylnaphthalen-1-yl)-4-methylthiophene (PubChem CID 91472224) has the molecular formula C16H13FS and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylnaphthalen-1-yl)-4-methylthiophene.

Molecular Properties

Compound Name2-(4-fluoro-2-methylnaphthalen-1-yl)-4-methylthiophene
PubChem CID91472224
Molecular FormulaC16H13FS
Molecular Weight256.34 g/mol
Exact Mass256.07
IUPAC Name2-(4-fluoro-2-methylnaphthalen-1-yl)-4-methylthiophene
SMILESCc1csc(-c2c(C)cc(F)c3ccccc23)c1
InChIInChI=1S/C16H13FS/c1-10-7-15(18-9-10)16-11(2)8-14(17)12-5-3-4-6-13(12)16/h3-9H,1-2H3
InChIKeyBLFJRHKUDHTYCV-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.34
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylnaphthalen-1-yl)-4-methylthiophene?
The IUPAC name of 2-(4-fluoro-2-methylnaphthalen-1-yl)-4-methylthiophene (CID 91472224) is 2-(4-fluoro-2-methylnaphthalen-1-yl)-4-methylthiophene.
What is the SMILES notation for 2-(4-fluoro-2-methylnaphthalen-1-yl)-4-methylthiophene?
The canonical SMILES for 2-(4-fluoro-2-methylnaphthalen-1-yl)-4-methylthiophene is Cc1csc(-c2c(C)cc(F)c3ccccc23)c1.
What is the InChIKey of 2-(4-fluoro-2-methylnaphthalen-1-yl)-4-methylthiophene?
The InChIKey is BLFJRHKUDHTYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FS/c1-10-7-15(18-9-10)16-11(2)8-14(17)12-5-3-4-6-13(12)16/h3-9H,1-2H3.
What are the key properties of 2-(4-fluoro-2-methylnaphthalen-1-yl)-4-methylthiophene?
2-(4-fluoro-2-methylnaphthalen-1-yl)-4-methylthiophene has a molecular weight of 256.34 g/mol, XLogP of 5.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylnaphthalen-1-yl)-4-methylthiophene is sourced from PubChem (CID 91472224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).