1-butyl-3,4-difluoro-5-(4-phenylphenyl)-2-propylbenzene

C25H26F2 — CID 19107847

IUPAC1-butyl-3,4-difluoro-5-(4-phenylphenyl)-2-propylbenzene
SMILESCCCCc1cc(-c2ccc(-c3ccccc3)cc2)c(F)c(F)c1CCC
InChIInChI=1S/C25H26F2/c1-3-5-10-21-17-23(25(27)24(26)22(21)9-4-2)20-15-13-19(14-16-20)18-11-7-6-8-12-18/h6-8,11-17H,3-5,9-10H2,1-2H3
InChIKeyUBVWXOAHSKVEAA-UHFFFAOYSA-N
MW364.48 g/mol
LogP7.59
Rot. Bonds7

About 1-butyl-3,4-difluoro-5-(4-phenylphenyl)-2-propylbenzene

1-butyl-3,4-difluoro-5-(4-phenylphenyl)-2-propylbenzene (PubChem CID 19107847) has the molecular formula C25H26F2 and a molecular weight of 364.48 g/mol. Its IUPAC name is 1-butyl-3,4-difluoro-5-(4-phenylphenyl)-2-propylbenzene.

Molecular Properties

Compound Name1-butyl-3,4-difluoro-5-(4-phenylphenyl)-2-propylbenzene
PubChem CID19107847
Molecular FormulaC25H26F2
Molecular Weight364.48 g/mol
Exact Mass364.20
IUPAC Name1-butyl-3,4-difluoro-5-(4-phenylphenyl)-2-propylbenzene
SMILESCCCCc1cc(-c2ccc(-c3ccccc3)cc2)c(F)c(F)c1CCC
InChIInChI=1S/C25H26F2/c1-3-5-10-21-17-23(25(27)24(26)22(21)9-4-2)20-15-13-19(14-16-20)18-11-7-6-8-12-18/h6-8,11-17H,3-5,9-10H2,1-2H3
InChIKeyUBVWXOAHSKVEAA-UHFFFAOYSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.48
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,4-difluoro-5-(4-phenylphenyl)-2-propylbenzene?
The IUPAC name of 1-butyl-3,4-difluoro-5-(4-phenylphenyl)-2-propylbenzene (CID 19107847) is 1-butyl-3,4-difluoro-5-(4-phenylphenyl)-2-propylbenzene.
What is the SMILES notation for 1-butyl-3,4-difluoro-5-(4-phenylphenyl)-2-propylbenzene?
The canonical SMILES for 1-butyl-3,4-difluoro-5-(4-phenylphenyl)-2-propylbenzene is CCCCc1cc(-c2ccc(-c3ccccc3)cc2)c(F)c(F)c1CCC.
What is the InChIKey of 1-butyl-3,4-difluoro-5-(4-phenylphenyl)-2-propylbenzene?
The InChIKey is UBVWXOAHSKVEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2/c1-3-5-10-21-17-23(25(27)24(26)22(21)9-4-2)20-15-13-19(14-16-20)18-11-7-6-8-12-18/h6-8,11-17H,3-5,9-10H2,1-2H3.
What are the key properties of 1-butyl-3,4-difluoro-5-(4-phenylphenyl)-2-propylbenzene?
1-butyl-3,4-difluoro-5-(4-phenylphenyl)-2-propylbenzene has a molecular weight of 364.48 g/mol, XLogP of 7.59, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,4-difluoro-5-(4-phenylphenyl)-2-propylbenzene is sourced from PubChem (CID 19107847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).