5-[(3,4-difluoro-5-methylphenyl)methyl]-1,2-difluoro-3-(4-methylphenyl)benzene

C21H16F4 — CID 144909514

IUPAC5-[(3,4-difluoro-5-methylphenyl)methyl]-1,2-difluoro-3-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cc(Cc3cc(C)c(F)c(F)c3)cc(F)c2F)cc1
InChIInChI=1S/C21H16F4/c1-12-3-5-16(6-4-12)17-9-15(11-19(23)21(17)25)8-14-7-13(2)20(24)18(22)10-14/h3-7,9-11H,8H2,1-2H3
InChIKeyOWUBTRHKJNWNLQ-UHFFFAOYSA-N
MW344.35 g/mol
LogP6.12
Rot. Bonds3

About 5-[(3,4-difluoro-5-methylphenyl)methyl]-1,2-difluoro-3-(4-methylphenyl)benzene

5-[(3,4-difluoro-5-methylphenyl)methyl]-1,2-difluoro-3-(4-methylphenyl)benzene (PubChem CID 144909514) has the molecular formula C21H16F4 and a molecular weight of 344.35 g/mol. Its IUPAC name is 5-[(3,4-difluoro-5-methylphenyl)methyl]-1,2-difluoro-3-(4-methylphenyl)benzene.

Molecular Properties

Compound Name5-[(3,4-difluoro-5-methylphenyl)methyl]-1,2-difluoro-3-(4-methylphenyl)benzene
PubChem CID144909514
Molecular FormulaC21H16F4
Molecular Weight344.35 g/mol
Exact Mass344.12
IUPAC Name5-[(3,4-difluoro-5-methylphenyl)methyl]-1,2-difluoro-3-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cc(Cc3cc(C)c(F)c(F)c3)cc(F)c2F)cc1
InChIInChI=1S/C21H16F4/c1-12-3-5-16(6-4-12)17-9-15(11-19(23)21(17)25)8-14-7-13(2)20(24)18(22)10-14/h3-7,9-11H,8H2,1-2H3
InChIKeyOWUBTRHKJNWNLQ-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.35
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluoro-5-methylphenyl)methyl]-1,2-difluoro-3-(4-methylphenyl)benzene?
The IUPAC name of 5-[(3,4-difluoro-5-methylphenyl)methyl]-1,2-difluoro-3-(4-methylphenyl)benzene (CID 144909514) is 5-[(3,4-difluoro-5-methylphenyl)methyl]-1,2-difluoro-3-(4-methylphenyl)benzene.
What is the SMILES notation for 5-[(3,4-difluoro-5-methylphenyl)methyl]-1,2-difluoro-3-(4-methylphenyl)benzene?
The canonical SMILES for 5-[(3,4-difluoro-5-methylphenyl)methyl]-1,2-difluoro-3-(4-methylphenyl)benzene is Cc1ccc(-c2cc(Cc3cc(C)c(F)c(F)c3)cc(F)c2F)cc1.
What is the InChIKey of 5-[(3,4-difluoro-5-methylphenyl)methyl]-1,2-difluoro-3-(4-methylphenyl)benzene?
The InChIKey is OWUBTRHKJNWNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4/c1-12-3-5-16(6-4-12)17-9-15(11-19(23)21(17)25)8-14-7-13(2)20(24)18(22)10-14/h3-7,9-11H,8H2,1-2H3.
What are the key properties of 5-[(3,4-difluoro-5-methylphenyl)methyl]-1,2-difluoro-3-(4-methylphenyl)benzene?
5-[(3,4-difluoro-5-methylphenyl)methyl]-1,2-difluoro-3-(4-methylphenyl)benzene has a molecular weight of 344.35 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluoro-5-methylphenyl)methyl]-1,2-difluoro-3-(4-methylphenyl)benzene is sourced from PubChem (CID 144909514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).