2-fluoro-4-(2-methylpropyl)-1-[2-[3-(2,3,3-trimethylbutyl)phenyl]propyl]benzene

C26H37F — CID 167041831

IUPAC2-fluoro-4-(2-methylpropyl)-1-[2-[3-(2,3,3-trimethylbutyl)phenyl]propyl]benzene
SMILESCC(C)Cc1ccc(CC(C)c2cccc(CC(C)C(C)(C)C)c2)c(F)c1
InChIInChI=1S/C26H37F/c1-18(2)13-22-11-12-24(25(27)17-22)14-19(3)23-10-8-9-21(16-23)15-20(4)26(5,6)7/h8-12,16-20H,13-15H2,1-7H3
InChIKeyVQOXLYZYYJFOBC-UHFFFAOYSA-N
MW368.58 g/mol
LogP7.60
Rot. Bonds7

About 2-fluoro-4-(2-methylpropyl)-1-[2-[3-(2,3,3-trimethylbutyl)phenyl]propyl]benzene

2-fluoro-4-(2-methylpropyl)-1-[2-[3-(2,3,3-trimethylbutyl)phenyl]propyl]benzene (PubChem CID 167041831) has the molecular formula C26H37F and a molecular weight of 368.58 g/mol. Its IUPAC name is 2-fluoro-4-(2-methylpropyl)-1-[2-[3-(2,3,3-trimethylbutyl)phenyl]propyl]benzene.

Molecular Properties

Compound Name2-fluoro-4-(2-methylpropyl)-1-[2-[3-(2,3,3-trimethylbutyl)phenyl]propyl]benzene
PubChem CID167041831
Molecular FormulaC26H37F
Molecular Weight368.58 g/mol
Exact Mass368.29
IUPAC Name2-fluoro-4-(2-methylpropyl)-1-[2-[3-(2,3,3-trimethylbutyl)phenyl]propyl]benzene
SMILESCC(C)Cc1ccc(CC(C)c2cccc(CC(C)C(C)(C)C)c2)c(F)c1
InChIInChI=1S/C26H37F/c1-18(2)13-22-11-12-24(25(27)17-22)14-19(3)23-10-8-9-21(16-23)15-20(4)26(5,6)7/h8-12,16-20H,13-15H2,1-7H3
InChIKeyVQOXLYZYYJFOBC-UHFFFAOYSA-N
XLogP7.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.58
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 112705581
1-ethyl-2-fluoro-4-[(2R)-2-phenylpropyl]benzene
CID 71103129
[2-fluoro-4-(2-methylpropyl)phenyl]methanamine
CID 63887126
2-fluoro-4-(2-methylpropyl)-1-propylbenzene
CID 58333438
2-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116544108
N-ethyl-3,4,4-trimethyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050615
2-[2-fluoro-4-(2-methylpropyl)phenyl]acetonitrile
CID 155973458
(3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543886
1-tert-butyl-3-[1-(3-tert-butylphenyl)propan-2-yl]benzene
CID 101326643
2-methoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol
CID 116713134
2,2,3-trimethyl-4-[3-(3-methylbutan-2-yl)phenyl]butanenitrile
CID 167106731
1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine
CID 116543879

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-methylpropyl)-1-[2-[3-(2,3,3-trimethylbutyl)phenyl]propyl]benzene?
The IUPAC name of 2-fluoro-4-(2-methylpropyl)-1-[2-[3-(2,3,3-trimethylbutyl)phenyl]propyl]benzene (CID 167041831) is 2-fluoro-4-(2-methylpropyl)-1-[2-[3-(2,3,3-trimethylbutyl)phenyl]propyl]benzene.
What is the SMILES notation for 2-fluoro-4-(2-methylpropyl)-1-[2-[3-(2,3,3-trimethylbutyl)phenyl]propyl]benzene?
The canonical SMILES for 2-fluoro-4-(2-methylpropyl)-1-[2-[3-(2,3,3-trimethylbutyl)phenyl]propyl]benzene is CC(C)Cc1ccc(CC(C)c2cccc(CC(C)C(C)(C)C)c2)c(F)c1.
What is the InChIKey of 2-fluoro-4-(2-methylpropyl)-1-[2-[3-(2,3,3-trimethylbutyl)phenyl]propyl]benzene?
The InChIKey is VQOXLYZYYJFOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37F/c1-18(2)13-22-11-12-24(25(27)17-22)14-19(3)23-10-8-9-21(16-23)15-20(4)26(5,6)7/h8-12,16-20H,13-15H2,1-7H3.
What are the key properties of 2-fluoro-4-(2-methylpropyl)-1-[2-[3-(2,3,3-trimethylbutyl)phenyl]propyl]benzene?
2-fluoro-4-(2-methylpropyl)-1-[2-[3-(2,3,3-trimethylbutyl)phenyl]propyl]benzene has a molecular weight of 368.58 g/mol, XLogP of 7.60, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-methylpropyl)-1-[2-[3-(2,3,3-trimethylbutyl)phenyl]propyl]benzene is sourced from PubChem (CID 167041831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).