1,2-difluoro-3-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene

C23H22F2 — CID 142739583

IUPAC1,2-difluoro-3-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
SMILESCCCc1ccc(CCc2ccc(-c3cccc(F)c3F)cc2)cc1
InChIInChI=1S/C23H22F2/c1-2-4-17-7-9-18(10-8-17)11-12-19-13-15-20(16-14-19)21-5-3-6-22(24)23(21)25/h3,5-10,13-16H,2,4,11-12H2,1H3
InChIKeyQHQGFZAQMDPFKC-UHFFFAOYSA-N
MW336.43 g/mol
LogP6.37
Rot. Bonds6

About 1,2-difluoro-3-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene

1,2-difluoro-3-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene (PubChem CID 142739583) has the molecular formula C23H22F2 and a molecular weight of 336.43 g/mol. Its IUPAC name is 1,2-difluoro-3-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-3-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
PubChem CID142739583
Molecular FormulaC23H22F2
Molecular Weight336.43 g/mol
Exact Mass336.17
IUPAC Name1,2-difluoro-3-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
SMILESCCCc1ccc(CCc2ccc(-c3cccc(F)c3F)cc2)cc1
InChIInChI=1S/C23H22F2/c1-2-4-17-7-9-18(10-8-17)11-12-19-13-15-20(16-14-19)21-5-3-6-22(24)23(21)25/h3,5-10,13-16H,2,4,11-12H2,1H3
InChIKeyQHQGFZAQMDPFKC-UHFFFAOYSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.43
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene
CID 145190547
1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluoro-4-methoxybenzene
CID 145190540
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749
1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 118910762
2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]benzene
CID 118858881
1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene
CID 54541075
1,2-difluoro-3-[2-[4-[2-(4-propylphenyl)ethynyl]phenyl]ethynyl]benzene
CID 22112430
1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
CID 71422219
1,2-difluoro-3-(4-methoxyphenyl)benzene
CID 59532996
1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 58140627
3,4-difluoro-2,5-bis(4-propylphenyl)thiophene
CID 118390683
N-[[3-(2,3-difluorophenyl)phenyl]methyl]ethanamine
CID 63989003

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene?
The IUPAC name of 1,2-difluoro-3-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene (CID 142739583) is 1,2-difluoro-3-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene.
What is the SMILES notation for 1,2-difluoro-3-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene?
The canonical SMILES for 1,2-difluoro-3-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene is CCCc1ccc(CCc2ccc(-c3cccc(F)c3F)cc2)cc1.
What is the InChIKey of 1,2-difluoro-3-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene?
The InChIKey is QHQGFZAQMDPFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2/c1-2-4-17-7-9-18(10-8-17)11-12-19-13-15-20(16-14-19)21-5-3-6-22(24)23(21)25/h3,5-10,13-16H,2,4,11-12H2,1H3.
What are the key properties of 1,2-difluoro-3-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene?
1,2-difluoro-3-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene has a molecular weight of 336.43 g/mol, XLogP of 6.37, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene is sourced from PubChem (CID 142739583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).