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

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Related Compounds

2-cyclobutyl-5-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]thiophene
CID 166999822
2-[4-(4-cyclopropylphenyl)-2-fluorophenyl]-5-methylthiophene
CID 170655035
2-cyclopentyl-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene
CID 166999855
4-[[5-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]thiophen-2-yl]oxymethyl]oxane
CID 166999852
1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 126693080
2-[4-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene
CID 174244261
2-(cyclopropylmethyl)-5-[2,3-difluoro-4-(4-methylphenyl)phenyl]thiophene
CID 166999710
1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene
CID 173349643
3-chloro-1-[4-(4-cyclobutylcyclohexyl)phenyl]-2-fluoro-4-methylbenzene
CID 167572512
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-methylthiophene
CID 172603717
2-cyclopentyloxy-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene
CID 166999838
1-(4-cyclohexylphenyl)-2,3-difluoro-4-prop-2-enoxybenzene
CID 134359475

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).