2-(4-cyclobutylphenyl)-1,3-difluoro-5-(4-propylphenyl)benzene

C25H24F2 — CID 166999626

IUPAC2-(4-cyclobutylphenyl)-1,3-difluoro-5-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2cc(F)c(-c3ccc(C4CCC4)cc3)c(F)c2)cc1
InChIInChI=1S/C25H24F2/c1-2-4-17-7-9-20(10-8-17)22-15-23(26)25(24(27)16-22)21-13-11-19(12-14-21)18-5-3-6-18/h7-16,18H,2-6H2,1H3
InChIKeyFHZXMXROECWTPR-UHFFFAOYSA-N
MW362.46 g/mol
LogP7.52
Rot. Bonds5

About 2-(4-cyclobutylphenyl)-1,3-difluoro-5-(4-propylphenyl)benzene

2-(4-cyclobutylphenyl)-1,3-difluoro-5-(4-propylphenyl)benzene (PubChem CID 166999626) has the molecular formula C25H24F2 and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-(4-cyclobutylphenyl)-1,3-difluoro-5-(4-propylphenyl)benzene.

Molecular Properties

Compound Name2-(4-cyclobutylphenyl)-1,3-difluoro-5-(4-propylphenyl)benzene
PubChem CID166999626
Molecular FormulaC25H24F2
Molecular Weight362.46 g/mol
Exact Mass362.18
IUPAC Name2-(4-cyclobutylphenyl)-1,3-difluoro-5-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2cc(F)c(-c3ccc(C4CCC4)cc3)c(F)c2)cc1
InChIInChI=1S/C25H24F2/c1-2-4-17-7-9-20(10-8-17)22-15-23(26)25(24(27)16-22)21-13-11-19(12-14-21)18-5-3-6-18/h7-16,18H,2-6H2,1H3
InChIKeyFHZXMXROECWTPR-UHFFFAOYSA-N
XLogP7.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.46
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-5-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)benzene
CID 86196386
1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene
CID 19892612
4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane
CID 54735607
6-(4-fluorophenyl)-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853199
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene
CID 18513408
2,6-difluoro-4-(4-propylphenyl)benzaldehyde
CID 22561373
2-chloro-1,3-difluoro-5-[4-[2-[4-(4-pentylphenyl)cyclohexyl]ethyl]phenyl]benzene
CID 54054903
1,3-difluoro-5-[2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl]-2-(trifluoromethyl)benzene
CID 162555993
1-(3-bromocyclohexyl)-4-propylbenzene
CID 64506484
1-(4-cyclobutylphenyl)-4-[4-(cyclopropylmethyl)phenyl]-2-fluorobenzene
CID 166651083
1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene
CID 143260820

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutylphenyl)-1,3-difluoro-5-(4-propylphenyl)benzene?
The IUPAC name of 2-(4-cyclobutylphenyl)-1,3-difluoro-5-(4-propylphenyl)benzene (CID 166999626) is 2-(4-cyclobutylphenyl)-1,3-difluoro-5-(4-propylphenyl)benzene.
What is the SMILES notation for 2-(4-cyclobutylphenyl)-1,3-difluoro-5-(4-propylphenyl)benzene?
The canonical SMILES for 2-(4-cyclobutylphenyl)-1,3-difluoro-5-(4-propylphenyl)benzene is CCCc1ccc(-c2cc(F)c(-c3ccc(C4CCC4)cc3)c(F)c2)cc1.
What is the InChIKey of 2-(4-cyclobutylphenyl)-1,3-difluoro-5-(4-propylphenyl)benzene?
The InChIKey is FHZXMXROECWTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2/c1-2-4-17-7-9-20(10-8-17)22-15-23(26)25(24(27)16-22)21-13-11-19(12-14-21)18-5-3-6-18/h7-16,18H,2-6H2,1H3.
What are the key properties of 2-(4-cyclobutylphenyl)-1,3-difluoro-5-(4-propylphenyl)benzene?
2-(4-cyclobutylphenyl)-1,3-difluoro-5-(4-propylphenyl)benzene has a molecular weight of 362.46 g/mol, XLogP of 7.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutylphenyl)-1,3-difluoro-5-(4-propylphenyl)benzene is sourced from PubChem (CID 166999626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).