2-cyclopropyl-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene

C20H16F2S — CID 166999789

IUPAC2-cyclopropyl-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene
SMILESCc1ccc(-c2cc(F)c(-c3ccc(C4CC4)s3)c(F)c2)cc1
InChIInChI=1S/C20H16F2S/c1-12-2-4-13(5-3-12)15-10-16(21)20(17(22)11-15)19-9-8-18(23-19)14-6-7-14/h2-5,8-11,14H,6-7H2,1H3
InChIKeyDIXXZKLDQMVCMG-UHFFFAOYSA-N
MW326.41 g/mol
LogP6.55
Rot. Bonds3

About 2-cyclopropyl-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene

2-cyclopropyl-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene (PubChem CID 166999789) has the molecular formula C20H16F2S and a molecular weight of 326.41 g/mol. Its IUPAC name is 2-cyclopropyl-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene.

Molecular Properties

Compound Name2-cyclopropyl-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene
PubChem CID166999789
Molecular FormulaC20H16F2S
Molecular Weight326.41 g/mol
Exact Mass326.09
IUPAC Name2-cyclopropyl-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene
SMILESCc1ccc(-c2cc(F)c(-c3ccc(C4CC4)s3)c(F)c2)cc1
InChIInChI=1S/C20H16F2S/c1-12-2-4-13(5-3-12)15-10-16(21)20(17(22)11-15)19-9-8-18(23-19)14-6-7-14/h2-5,8-11,14H,6-7H2,1H3
InChIKeyDIXXZKLDQMVCMG-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.41
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene?
The IUPAC name of 2-cyclopropyl-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene (CID 166999789) is 2-cyclopropyl-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene.
What is the SMILES notation for 2-cyclopropyl-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene?
The canonical SMILES for 2-cyclopropyl-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene is Cc1ccc(-c2cc(F)c(-c3ccc(C4CC4)s3)c(F)c2)cc1.
What is the InChIKey of 2-cyclopropyl-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene?
The InChIKey is DIXXZKLDQMVCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2S/c1-12-2-4-13(5-3-12)15-10-16(21)20(17(22)11-15)19-9-8-18(23-19)14-6-7-14/h2-5,8-11,14H,6-7H2,1H3.
What are the key properties of 2-cyclopropyl-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene?
2-cyclopropyl-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene has a molecular weight of 326.41 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene is sourced from PubChem (CID 166999789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).