2-[4-(4-cyclobutyloxyphenyl)-2,6-difluorophenyl]-5-ethylthiophene

C22H20F2OS — CID 174339632

IUPAC2-[4-(4-cyclobutyloxyphenyl)-2,6-difluorophenyl]-5-ethylthiophene
SMILESCCc1ccc(-c2c(F)cc(-c3ccc(OC4CCC4)cc3)cc2F)s1
InChIInChI=1S/C22H20F2OS/c1-2-18-10-11-21(26-18)22-19(23)12-15(13-20(22)24)14-6-8-17(9-7-14)25-16-4-3-5-16/h6-13,16H,2-5H2,1H3
InChIKeyZLQBTZYAYQTUTP-UHFFFAOYSA-N
MW370.46 g/mol
LogP6.85
Rot. Bonds5

About 2-[4-(4-cyclobutyloxyphenyl)-2,6-difluorophenyl]-5-ethylthiophene

2-[4-(4-cyclobutyloxyphenyl)-2,6-difluorophenyl]-5-ethylthiophene (PubChem CID 174339632) has the molecular formula C22H20F2OS and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[4-(4-cyclobutyloxyphenyl)-2,6-difluorophenyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[4-(4-cyclobutyloxyphenyl)-2,6-difluorophenyl]-5-ethylthiophene
PubChem CID174339632
Molecular FormulaC22H20F2OS
Molecular Weight370.46 g/mol
Exact Mass370.12
IUPAC Name2-[4-(4-cyclobutyloxyphenyl)-2,6-difluorophenyl]-5-ethylthiophene
SMILESCCc1ccc(-c2c(F)cc(-c3ccc(OC4CCC4)cc3)cc2F)s1
InChIInChI=1S/C22H20F2OS/c1-2-18-10-11-21(26-18)22-19(23)12-15(13-20(22)24)14-6-8-17(9-7-14)25-16-4-3-5-16/h6-13,16H,2-5H2,1H3
InChIKeyZLQBTZYAYQTUTP-UHFFFAOYSA-N
XLogP6.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclobutyloxyphenyl)-2,6-difluorophenyl]-5-ethylthiophene?
The IUPAC name of 2-[4-(4-cyclobutyloxyphenyl)-2,6-difluorophenyl]-5-ethylthiophene (CID 174339632) is 2-[4-(4-cyclobutyloxyphenyl)-2,6-difluorophenyl]-5-ethylthiophene.
What is the SMILES notation for 2-[4-(4-cyclobutyloxyphenyl)-2,6-difluorophenyl]-5-ethylthiophene?
The canonical SMILES for 2-[4-(4-cyclobutyloxyphenyl)-2,6-difluorophenyl]-5-ethylthiophene is CCc1ccc(-c2c(F)cc(-c3ccc(OC4CCC4)cc3)cc2F)s1.
What is the InChIKey of 2-[4-(4-cyclobutyloxyphenyl)-2,6-difluorophenyl]-5-ethylthiophene?
The InChIKey is ZLQBTZYAYQTUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2OS/c1-2-18-10-11-21(26-18)22-19(23)12-15(13-20(22)24)14-6-8-17(9-7-14)25-16-4-3-5-16/h6-13,16H,2-5H2,1H3.
What are the key properties of 2-[4-(4-cyclobutyloxyphenyl)-2,6-difluorophenyl]-5-ethylthiophene?
2-[4-(4-cyclobutyloxyphenyl)-2,6-difluorophenyl]-5-ethylthiophene has a molecular weight of 370.46 g/mol, XLogP of 6.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclobutyloxyphenyl)-2,6-difluorophenyl]-5-ethylthiophene is sourced from PubChem (CID 174339632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).