2-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]-5-methylthiophene

C22H20F2S — CID 171813065

IUPAC2-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]-5-methylthiophene
SMILESCc1ccc(-c2ccc(-c3ccc(C4CCCC4)cc3)c(F)c2F)s1
InChIInChI=1S/C22H20F2S/c1-14-6-13-20(25-14)19-12-11-18(21(23)22(19)24)17-9-7-16(8-10-17)15-4-2-3-5-15/h6-13,15H,2-5H2,1H3
InChIKeyDDAXGGKOQNDJMI-UHFFFAOYSA-N
MW354.47 g/mol
LogP7.33
Rot. Bonds3

About 2-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]-5-methylthiophene

2-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]-5-methylthiophene (PubChem CID 171813065) has the molecular formula C22H20F2S and a molecular weight of 354.47 g/mol. Its IUPAC name is 2-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]-5-methylthiophene.

Molecular Properties

Compound Name2-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]-5-methylthiophene
PubChem CID171813065
Molecular FormulaC22H20F2S
Molecular Weight354.47 g/mol
Exact Mass354.13
IUPAC Name2-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]-5-methylthiophene
SMILESCc1ccc(-c2ccc(-c3ccc(C4CCCC4)cc3)c(F)c2F)s1
InChIInChI=1S/C22H20F2S/c1-14-6-13-20(25-14)19-12-11-18(21(23)22(19)24)17-9-7-16(8-10-17)15-4-2-3-5-15/h6-13,15H,2-5H2,1H3
InChIKeyDDAXGGKOQNDJMI-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.47
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]-5-methylthiophene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]-5-methylthiophene?
The IUPAC name of 2-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]-5-methylthiophene (CID 171813065) is 2-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]-5-methylthiophene.
What is the SMILES notation for 2-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]-5-methylthiophene?
The canonical SMILES for 2-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]-5-methylthiophene is Cc1ccc(-c2ccc(-c3ccc(C4CCCC4)cc3)c(F)c2F)s1.
What is the InChIKey of 2-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]-5-methylthiophene?
The InChIKey is DDAXGGKOQNDJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2S/c1-14-6-13-20(25-14)19-12-11-18(21(23)22(19)24)17-9-7-16(8-10-17)15-4-2-3-5-15/h6-13,15H,2-5H2,1H3.
What are the key properties of 2-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]-5-methylthiophene?
2-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]-5-methylthiophene has a molecular weight of 354.47 g/mol, XLogP of 7.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]-5-methylthiophene is sourced from PubChem (CID 171813065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).