2-cyclopentyl-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene

C23H22F2S — CID 166999855

IUPAC2-cyclopentyl-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene
SMILESCCc1ccc(-c2ccc(-c3ccc(C4CCCC4)s3)c(F)c2F)cc1
InChIInChI=1S/C23H22F2S/c1-2-15-7-9-16(10-8-15)18-11-12-19(23(25)22(18)24)21-14-13-20(26-21)17-5-3-4-6-17/h7-14,17H,2-6H2,1H3
InChIKeyAYSXMZFXAUZZPJ-UHFFFAOYSA-N
MW368.49 g/mol
LogP7.58
Rot. Bonds4

About 2-cyclopentyl-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene

2-cyclopentyl-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene (PubChem CID 166999855) has the molecular formula C23H22F2S and a molecular weight of 368.49 g/mol. Its IUPAC name is 2-cyclopentyl-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene.

Molecular Properties

Compound Name2-cyclopentyl-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene
PubChem CID166999855
Molecular FormulaC23H22F2S
Molecular Weight368.49 g/mol
Exact Mass368.14
IUPAC Name2-cyclopentyl-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene
SMILESCCc1ccc(-c2ccc(-c3ccc(C4CCCC4)s3)c(F)c2F)cc1
InChIInChI=1S/C23H22F2S/c1-2-15-7-9-16(10-8-15)18-11-12-19(23(25)22(18)24)21-14-13-20(26-21)17-5-3-4-6-17/h7-14,17H,2-6H2,1H3
InChIKeyAYSXMZFXAUZZPJ-UHFFFAOYSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.49
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene?
The IUPAC name of 2-cyclopentyl-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene (CID 166999855) is 2-cyclopentyl-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene.
What is the SMILES notation for 2-cyclopentyl-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene?
The canonical SMILES for 2-cyclopentyl-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene is CCc1ccc(-c2ccc(-c3ccc(C4CCCC4)s3)c(F)c2F)cc1.
What is the InChIKey of 2-cyclopentyl-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene?
The InChIKey is AYSXMZFXAUZZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2S/c1-2-15-7-9-16(10-8-15)18-11-12-19(23(25)22(18)24)21-14-13-20(26-21)17-5-3-4-6-17/h7-14,17H,2-6H2,1H3.
What are the key properties of 2-cyclopentyl-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene?
2-cyclopentyl-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene has a molecular weight of 368.49 g/mol, XLogP of 7.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene is sourced from PubChem (CID 166999855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).