2-(cyclobutylmethyl)-5-[2,3-difluoro-4-(4-propylphenyl)phenyl]thiophene

C24H24F2S — CID 166999651

IUPAC2-(cyclobutylmethyl)-5-[2,3-difluoro-4-(4-propylphenyl)phenyl]thiophene
SMILESCCCc1ccc(-c2ccc(-c3ccc(CC4CCC4)s3)c(F)c2F)cc1
InChIInChI=1S/C24H24F2S/c1-2-4-16-7-9-18(10-8-16)20-12-13-21(24(26)23(20)25)22-14-11-19(27-22)15-17-5-3-6-17/h7-14,17H,2-6,15H2,1H3
InChIKeyDFAMOELRVVPWQP-UHFFFAOYSA-N
MW382.52 g/mol
LogP7.66
Rot. Bonds6

About 2-(cyclobutylmethyl)-5-[2,3-difluoro-4-(4-propylphenyl)phenyl]thiophene

2-(cyclobutylmethyl)-5-[2,3-difluoro-4-(4-propylphenyl)phenyl]thiophene (PubChem CID 166999651) has the molecular formula C24H24F2S and a molecular weight of 382.52 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-5-[2,3-difluoro-4-(4-propylphenyl)phenyl]thiophene.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-5-[2,3-difluoro-4-(4-propylphenyl)phenyl]thiophene
PubChem CID166999651
Molecular FormulaC24H24F2S
Molecular Weight382.52 g/mol
Exact Mass382.16
IUPAC Name2-(cyclobutylmethyl)-5-[2,3-difluoro-4-(4-propylphenyl)phenyl]thiophene
SMILESCCCc1ccc(-c2ccc(-c3ccc(CC4CCC4)s3)c(F)c2F)cc1
InChIInChI=1S/C24H24F2S/c1-2-4-16-7-9-18(10-8-16)20-12-13-21(24(26)23(20)25)22-14-11-19(27-22)15-17-5-3-6-17/h7-14,17H,2-6,15H2,1H3
InChIKeyDFAMOELRVVPWQP-UHFFFAOYSA-N
XLogP7.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.52
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-5-[2,3-difluoro-4-(4-propylphenyl)phenyl]thiophene?
The IUPAC name of 2-(cyclobutylmethyl)-5-[2,3-difluoro-4-(4-propylphenyl)phenyl]thiophene (CID 166999651) is 2-(cyclobutylmethyl)-5-[2,3-difluoro-4-(4-propylphenyl)phenyl]thiophene.
What is the SMILES notation for 2-(cyclobutylmethyl)-5-[2,3-difluoro-4-(4-propylphenyl)phenyl]thiophene?
The canonical SMILES for 2-(cyclobutylmethyl)-5-[2,3-difluoro-4-(4-propylphenyl)phenyl]thiophene is CCCc1ccc(-c2ccc(-c3ccc(CC4CCC4)s3)c(F)c2F)cc1.
What is the InChIKey of 2-(cyclobutylmethyl)-5-[2,3-difluoro-4-(4-propylphenyl)phenyl]thiophene?
The InChIKey is DFAMOELRVVPWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2S/c1-2-4-16-7-9-18(10-8-16)20-12-13-21(24(26)23(20)25)22-14-11-19(27-22)15-17-5-3-6-17/h7-14,17H,2-6,15H2,1H3.
What are the key properties of 2-(cyclobutylmethyl)-5-[2,3-difluoro-4-(4-propylphenyl)phenyl]thiophene?
2-(cyclobutylmethyl)-5-[2,3-difluoro-4-(4-propylphenyl)phenyl]thiophene has a molecular weight of 382.52 g/mol, XLogP of 7.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-5-[2,3-difluoro-4-(4-propylphenyl)phenyl]thiophene is sourced from PubChem (CID 166999651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).