2,3-difluoro-1,4-bis(4-propylphenyl)benzene

C24H24F2 — CID 14495750

IUPAC2,3-difluoro-1,4-bis(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)c(F)c2F)cc1
InChIInChI=1S/C24H24F2/c1-3-5-17-7-11-19(12-8-17)21-15-16-22(24(26)23(21)25)20-13-9-18(6-4-2)10-14-20/h7-16H,3-6H2,1-2H3
InChIKeyFFTIVTXKYYZDPG-UHFFFAOYSA-N
MW350.45 g/mol
LogP7.20
Rot. Bonds6

About 2,3-difluoro-1,4-bis(4-propylphenyl)benzene

2,3-difluoro-1,4-bis(4-propylphenyl)benzene (PubChem CID 14495750) has the molecular formula C24H24F2 and a molecular weight of 350.45 g/mol. Its IUPAC name is 2,3-difluoro-1,4-bis(4-propylphenyl)benzene.

Molecular Properties

Compound Name2,3-difluoro-1,4-bis(4-propylphenyl)benzene
PubChem CID14495750
Molecular FormulaC24H24F2
Molecular Weight350.45 g/mol
Exact Mass350.18
IUPAC Name2,3-difluoro-1,4-bis(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)c(F)c2F)cc1
InChIInChI=1S/C24H24F2/c1-3-5-17-7-11-19(12-8-17)21-15-16-22(24(26)23(21)25)20-13-9-18(6-4-2)10-14-20/h7-16H,3-6H2,1-2H3
InChIKeyFFTIVTXKYYZDPG-UHFFFAOYSA-N
XLogP7.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.45
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1,4-bis(4-propylphenyl)benzene?
The IUPAC name of 2,3-difluoro-1,4-bis(4-propylphenyl)benzene (CID 14495750) is 2,3-difluoro-1,4-bis(4-propylphenyl)benzene.
What is the SMILES notation for 2,3-difluoro-1,4-bis(4-propylphenyl)benzene?
The canonical SMILES for 2,3-difluoro-1,4-bis(4-propylphenyl)benzene is CCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)c(F)c2F)cc1.
What is the InChIKey of 2,3-difluoro-1,4-bis(4-propylphenyl)benzene?
The InChIKey is FFTIVTXKYYZDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2/c1-3-5-17-7-11-19(12-8-17)21-15-16-22(24(26)23(21)25)20-13-9-18(6-4-2)10-14-20/h7-16H,3-6H2,1-2H3.
What are the key properties of 2,3-difluoro-1,4-bis(4-propylphenyl)benzene?
2,3-difluoro-1,4-bis(4-propylphenyl)benzene has a molecular weight of 350.45 g/mol, XLogP of 7.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1,4-bis(4-propylphenyl)benzene is sourced from PubChem (CID 14495750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).