2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene

C22H21F — CID 59933450

IUPAC2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(C)c(F)c3)cc2)cc1
InChIInChI=1S/C22H21F/c1-3-4-17-6-9-18(10-7-17)19-11-13-20(14-12-19)21-8-5-16(2)22(23)15-21/h5-15H,3-4H2,1-2H3
InChIKeyPSWAZFKGTQVYTG-UHFFFAOYSA-N
MW304.41 g/mol
LogP6.42
Rot. Bonds4

About 2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene

2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene (PubChem CID 59933450) has the molecular formula C22H21F and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene
PubChem CID59933450
Molecular FormulaC22H21F
Molecular Weight304.41 g/mol
Exact Mass304.16
IUPAC Name2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(C)c(F)c3)cc2)cc1
InChIInChI=1S/C22H21F/c1-3-4-17-6-9-18(10-7-17)19-11-13-20(14-12-19)21-8-5-16(2)22(23)15-21/h5-15H,3-4H2,1-2H3
InChIKeyPSWAZFKGTQVYTG-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.41
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene
CID 143260820
1,2-difluoro-4-[4-[5-[4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene
CID 167697950
1-bromo-2-fluoro-4-(4-propylphenyl)benzene
CID 19917644
2-ethyl-1-methyl-4-(4-propylphenyl)benzene
CID 123879424
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
[2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]-trimethylsilane
CID 11002971
2-fluoro-1-methyl-4-[2-(4-propylphenyl)ethynyl]benzene
CID 123846615
1,3-difluoro-5-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)benzene
CID 86196386
fluoromethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 161382729
2-fluoro-1-pentyl-4-(4-propylphenyl)benzene
CID 67842368
ethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 144658313
2-fluoro-4-(4-propylphenyl)benzonitrile
CID 15085130

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene?
The IUPAC name of 2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene (CID 59933450) is 2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene.
What is the SMILES notation for 2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene?
The canonical SMILES for 2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene is CCCc1ccc(-c2ccc(-c3ccc(C)c(F)c3)cc2)cc1.
What is the InChIKey of 2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene?
The InChIKey is PSWAZFKGTQVYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F/c1-3-4-17-6-9-18(10-7-17)19-11-13-20(14-12-19)21-8-5-16(2)22(23)15-21/h5-15H,3-4H2,1-2H3.
What are the key properties of 2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene?
2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene has a molecular weight of 304.41 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene is sourced from PubChem (CID 59933450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).