2-[5-[4-fluoro-3-(2-fluorophenoxy)phenyl]-2-methylpentan-2-yl]-4-methylthiophene

C23H24F2OS — CID 21269909

IUPAC2-[5-[4-fluoro-3-(2-fluorophenoxy)phenyl]-2-methylpentan-2-yl]-4-methylthiophene
SMILESCc1csc(C(C)(C)CCCc2ccc(F)c(Oc3ccccc3F)c2)c1
InChIInChI=1S/C23H24F2OS/c1-16-13-22(27-15-16)23(2,3)12-6-7-17-10-11-19(25)21(14-17)26-20-9-5-4-8-18(20)24/h4-5,8-11,13-15H,6-7,12H2,1-3H3
InChIKeyPMPJNHWXBFXQRY-UHFFFAOYSA-N
MW386.51 g/mol
LogP7.43
Rot. Bonds7

About 2-[5-[4-fluoro-3-(2-fluorophenoxy)phenyl]-2-methylpentan-2-yl]-4-methylthiophene

2-[5-[4-fluoro-3-(2-fluorophenoxy)phenyl]-2-methylpentan-2-yl]-4-methylthiophene (PubChem CID 21269909) has the molecular formula C23H24F2OS and a molecular weight of 386.51 g/mol. Its IUPAC name is 2-[5-[4-fluoro-3-(2-fluorophenoxy)phenyl]-2-methylpentan-2-yl]-4-methylthiophene.

Molecular Properties

Compound Name2-[5-[4-fluoro-3-(2-fluorophenoxy)phenyl]-2-methylpentan-2-yl]-4-methylthiophene
PubChem CID21269909
Molecular FormulaC23H24F2OS
Molecular Weight386.51 g/mol
Exact Mass386.15
IUPAC Name2-[5-[4-fluoro-3-(2-fluorophenoxy)phenyl]-2-methylpentan-2-yl]-4-methylthiophene
SMILESCc1csc(C(C)(C)CCCc2ccc(F)c(Oc3ccccc3F)c2)c1
InChIInChI=1S/C23H24F2OS/c1-16-13-22(27-15-16)23(2,3)12-6-7-17-10-11-19(25)21(14-17)26-20-9-5-4-8-18(20)24/h4-5,8-11,13-15H,6-7,12H2,1-3H3
InChIKeyPMPJNHWXBFXQRY-UHFFFAOYSA-N
XLogP7.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.51
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-fluoro-3-(2-fluorophenoxy)phenyl]-2-methylpentan-2-yl]-4-methylthiophene?
The IUPAC name of 2-[5-[4-fluoro-3-(2-fluorophenoxy)phenyl]-2-methylpentan-2-yl]-4-methylthiophene (CID 21269909) is 2-[5-[4-fluoro-3-(2-fluorophenoxy)phenyl]-2-methylpentan-2-yl]-4-methylthiophene.
What is the SMILES notation for 2-[5-[4-fluoro-3-(2-fluorophenoxy)phenyl]-2-methylpentan-2-yl]-4-methylthiophene?
The canonical SMILES for 2-[5-[4-fluoro-3-(2-fluorophenoxy)phenyl]-2-methylpentan-2-yl]-4-methylthiophene is Cc1csc(C(C)(C)CCCc2ccc(F)c(Oc3ccccc3F)c2)c1.
What is the InChIKey of 2-[5-[4-fluoro-3-(2-fluorophenoxy)phenyl]-2-methylpentan-2-yl]-4-methylthiophene?
The InChIKey is PMPJNHWXBFXQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2OS/c1-16-13-22(27-15-16)23(2,3)12-6-7-17-10-11-19(25)21(14-17)26-20-9-5-4-8-18(20)24/h4-5,8-11,13-15H,6-7,12H2,1-3H3.
What are the key properties of 2-[5-[4-fluoro-3-(2-fluorophenoxy)phenyl]-2-methylpentan-2-yl]-4-methylthiophene?
2-[5-[4-fluoro-3-(2-fluorophenoxy)phenyl]-2-methylpentan-2-yl]-4-methylthiophene has a molecular weight of 386.51 g/mol, XLogP of 7.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-fluoro-3-(2-fluorophenoxy)phenyl]-2-methylpentan-2-yl]-4-methylthiophene is sourced from PubChem (CID 21269909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).