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

C26H28F2 — CID 14495749

IUPAC2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)c(F)c2F)cc1
InChIInChI=1S/C26H28F2/c1-3-5-6-8-20-11-15-22(16-12-20)24-18-17-23(25(27)26(24)28)21-13-9-19(7-4-2)10-14-21/h9-18H,3-8H2,1-2H3
InChIKeyBQPRDSPHXAAJCR-UHFFFAOYSA-N
MW378.51 g/mol
LogP7.98
Rot. Bonds8

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

2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene (PubChem CID 14495749) has the molecular formula C26H28F2 and a molecular weight of 378.51 g/mol. Its IUPAC name is 2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene.

Molecular Properties

Compound Name2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
PubChem CID14495749
Molecular FormulaC26H28F2
Molecular Weight378.51 g/mol
Exact Mass378.22
IUPAC Name2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)c(F)c2F)cc1
InChIInChI=1S/C26H28F2/c1-3-5-6-8-20-11-15-22(16-12-20)24-18-17-23(25(27)26(24)28)21-13-9-19(7-4-2)10-14-21/h9-18H,3-8H2,1-2H3
InChIKeyBQPRDSPHXAAJCR-UHFFFAOYSA-N
XLogP7.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.51
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene
CID 20679712
1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 118911713
2,3-difluoro-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 22960039
2,3-difluoro-1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethynyl]benzene
CID 67864568
2,3-difluoro-1-[2-(4-pentylphenyl)ethynyl]-4-(4-propylphenyl)benzene
CID 67865358
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
1-(4-butylphenyl)-4-(4-ethylphenyl)-2,3-difluorobenzene;1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;1-(4-ethylphenyl)-2,3-difluoro-4-(4-propylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 165099168
2,3-difluoro-1-(2-fluoro-4-nonylphenyl)-4-(4-nonylphenyl)benzene
CID 10768709
1-(4-decoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene;2,3-difluoro-1-(4-nonoxyphenyl)-4-(4-pentylphenyl)benzene;1-(4-dodecoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 88626083
2,3-difluoro-1-(4-octoxyphenyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 19107873
2,3-difluoro-1-(4-octoxyphenyl)-4-[4-(4-octylphenyl)phenyl]benzene
CID 19108037
2,3-difluoro-1,4-bis(4-pentylphenyl)benzene;2,3-difluoro-1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene;2,3-difluoro-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 91519277

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene?
The IUPAC name of 2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene (CID 14495749) is 2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene.
What is the SMILES notation for 2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene?
The canonical SMILES for 2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene is CCCCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)c(F)c2F)cc1.
What is the InChIKey of 2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene?
The InChIKey is BQPRDSPHXAAJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2/c1-3-5-6-8-20-11-15-22(16-12-20)24-18-17-23(25(27)26(24)28)21-13-9-19(7-4-2)10-14-21/h9-18H,3-8H2,1-2H3.
What are the key properties of 2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene?
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene has a molecular weight of 378.51 g/mol, XLogP of 7.98, 8 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-pentylphenyl)-4-(4-propylphenyl)benzene is sourced from PubChem (CID 14495749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).