2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene

C29H24F4 — CID 91411014

IUPAC2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cc4)c(F)c3)cc2C(F)(F)F)cc1
InChIInChI=1S/C29H24F4/c1-3-4-20-7-11-21(12-8-20)25-15-13-23(17-27(25)29(31,32)33)24-14-16-26(28(30)18-24)22-9-5-19(2)6-10-22/h5-18H,3-4H2,1-2H3
InChIKeyMQLIBFLSZRBOGG-UHFFFAOYSA-N
MW448.50 g/mol
LogP9.11
Rot. Bonds5

About 2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene

2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene (PubChem CID 91411014) has the molecular formula C29H24F4 and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene
PubChem CID91411014
Molecular FormulaC29H24F4
Molecular Weight448.50 g/mol
Exact Mass448.18
IUPAC Name2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cc4)c(F)c3)cc2C(F)(F)F)cc1
InChIInChI=1S/C29H24F4/c1-3-4-20-7-11-21(12-8-20)25-15-13-23(17-27(25)29(31,32)33)24-14-16-26(28(30)18-24)22-9-5-19(2)6-10-22/h5-18H,3-4H2,1-2H3
InChIKeyMQLIBFLSZRBOGG-UHFFFAOYSA-N
XLogP9.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.50
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene (CID 91411014) is 2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene is CCCc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cc4)c(F)c3)cc2C(F)(F)F)cc1.
What is the InChIKey of 2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene?
The InChIKey is MQLIBFLSZRBOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F4/c1-3-4-20-7-11-21(12-8-20)25-15-13-23(17-27(25)29(31,32)33)24-14-16-26(28(30)18-24)22-9-5-19(2)6-10-22/h5-18H,3-4H2,1-2H3.
What are the key properties of 2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene?
2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene has a molecular weight of 448.50 g/mol, XLogP of 9.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 91411014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).