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

C25H24F2S — CID 166999822

IUPAC2-cyclobutyl-5-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]thiophene
SMILESFc1c(-c2ccc(C3CCCC3)cc2)ccc(-c2ccc(C3CCC3)s2)c1F
InChIInChI=1S/C25H24F2S/c26-24-20(18-10-8-17(9-11-18)16-4-1-2-5-16)12-13-21(25(24)27)23-15-14-22(28-23)19-6-3-7-19/h8-16,19H,1-7H2
InChIKeyPGRLERBSRZCIRS-UHFFFAOYSA-N
MW394.53 g/mol
LogP8.29
Rot. Bonds4

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

2-cyclobutyl-5-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]thiophene (PubChem CID 166999822) has the molecular formula C25H24F2S and a molecular weight of 394.53 g/mol. Its IUPAC name is 2-cyclobutyl-5-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]thiophene.

Molecular Properties

Compound Name2-cyclobutyl-5-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]thiophene
PubChem CID166999822
Molecular FormulaC25H24F2S
Molecular Weight394.53 g/mol
Exact Mass394.16
IUPAC Name2-cyclobutyl-5-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]thiophene
SMILESFc1c(-c2ccc(C3CCCC3)cc2)ccc(-c2ccc(C3CCC3)s2)c1F
InChIInChI=1S/C25H24F2S/c26-24-20(18-10-8-17(9-11-18)16-4-1-2-5-16)12-13-21(25(24)27)23-15-14-22(28-23)19-6-3-7-19/h8-16,19H,1-7H2
InChIKeyPGRLERBSRZCIRS-UHFFFAOYSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.53
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]-5-methylthiophene
CID 171813065
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
3-chloro-1-[4-(4-cyclobutylcyclohexyl)phenyl]-2-fluoro-4-methylbenzene
CID 167572512
2-cyclopentyloxy-5-[4-(4-ethylphenyl)-2,3-difluorophenyl]thiophene
CID 166999838
1-(4-cyclohexylphenyl)-2,3-difluoro-4-prop-2-enoxybenzene
CID 134359475
1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene
CID 173349643
4-[5-[4-(4-cyclopentylphenyl)-2-fluorophenyl]thiophen-2-yl]oxyoxane
CID 166999930
2-(4-cyclobutylphenyl)-5-fluoroaniline
CID 107626896
4-(4-cyclohexylphenyl)-3-fluorobenzaldehyde
CID 81431702
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]thiophene?
The IUPAC name of 2-cyclobutyl-5-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]thiophene (CID 166999822) is 2-cyclobutyl-5-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]thiophene.
What is the SMILES notation for 2-cyclobutyl-5-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]thiophene?
The canonical SMILES for 2-cyclobutyl-5-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]thiophene is Fc1c(-c2ccc(C3CCCC3)cc2)ccc(-c2ccc(C3CCC3)s2)c1F.
What is the InChIKey of 2-cyclobutyl-5-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]thiophene?
The InChIKey is PGRLERBSRZCIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2S/c26-24-20(18-10-8-17(9-11-18)16-4-1-2-5-16)12-13-21(25(24)27)23-15-14-22(28-23)19-6-3-7-19/h8-16,19H,1-7H2.
What are the key properties of 2-cyclobutyl-5-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]thiophene?
2-cyclobutyl-5-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]thiophene has a molecular weight of 394.53 g/mol, XLogP of 8.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]thiophene is sourced from PubChem (CID 166999822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).