2-[(2,6-dimethylphenyl)methyl]-5-(4-fluorophenyl)thiophene

C19H17FS — CID 122535416

IUPAC2-[(2,6-dimethylphenyl)methyl]-5-(4-fluorophenyl)thiophene
SMILESCc1cccc(C)c1Cc1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H17FS/c1-13-4-3-5-14(2)18(13)12-17-10-11-19(21-17)15-6-8-16(20)9-7-15/h3-11H,12H2,1-2H3
InChIKeyZFQZDVVXAILWFW-UHFFFAOYSA-N
MW296.41 g/mol
LogP5.76
Rot. Bonds3

About 2-[(2,6-dimethylphenyl)methyl]-5-(4-fluorophenyl)thiophene

2-[(2,6-dimethylphenyl)methyl]-5-(4-fluorophenyl)thiophene (PubChem CID 122535416) has the molecular formula C19H17FS and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenyl)methyl]-5-(4-fluorophenyl)thiophene.

Molecular Properties

Compound Name2-[(2,6-dimethylphenyl)methyl]-5-(4-fluorophenyl)thiophene
PubChem CID122535416
Molecular FormulaC19H17FS
Molecular Weight296.41 g/mol
Exact Mass296.10
IUPAC Name2-[(2,6-dimethylphenyl)methyl]-5-(4-fluorophenyl)thiophene
SMILESCc1cccc(C)c1Cc1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H17FS/c1-13-4-3-5-14(2)18(13)12-17-10-11-19(21-17)15-6-8-16(20)9-7-15/h3-11H,12H2,1-2H3
InChIKeyZFQZDVVXAILWFW-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenyl)methyl]-5-(4-fluorophenyl)thiophene?
The IUPAC name of 2-[(2,6-dimethylphenyl)methyl]-5-(4-fluorophenyl)thiophene (CID 122535416) is 2-[(2,6-dimethylphenyl)methyl]-5-(4-fluorophenyl)thiophene.
What is the SMILES notation for 2-[(2,6-dimethylphenyl)methyl]-5-(4-fluorophenyl)thiophene?
The canonical SMILES for 2-[(2,6-dimethylphenyl)methyl]-5-(4-fluorophenyl)thiophene is Cc1cccc(C)c1Cc1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 2-[(2,6-dimethylphenyl)methyl]-5-(4-fluorophenyl)thiophene?
The InChIKey is ZFQZDVVXAILWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FS/c1-13-4-3-5-14(2)18(13)12-17-10-11-19(21-17)15-6-8-16(20)9-7-15/h3-11H,12H2,1-2H3.
What are the key properties of 2-[(2,6-dimethylphenyl)methyl]-5-(4-fluorophenyl)thiophene?
2-[(2,6-dimethylphenyl)methyl]-5-(4-fluorophenyl)thiophene has a molecular weight of 296.41 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylphenyl)methyl]-5-(4-fluorophenyl)thiophene is sourced from PubChem (CID 122535416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).