1,3-dimethyl-4-(trifluoromethyl)-2-[2,4,6-tri(propan-2-yl)phenyl]benzene

C24H31F3 — CID 58112641

IUPAC1,3-dimethyl-4-(trifluoromethyl)-2-[2,4,6-tri(propan-2-yl)phenyl]benzene
SMILESCc1ccc(C(F)(F)F)c(C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C24H31F3/c1-13(2)18-11-19(14(3)4)23(20(12-18)15(5)6)22-16(7)9-10-21(17(22)8)24(25,26)27/h9-15H,1-8H3
InChIKeyMDCBJXOIHSUNCC-UHFFFAOYSA-N
MW376.51 g/mol
LogP8.36
Rot. Bonds4

About 1,3-dimethyl-4-(trifluoromethyl)-2-[2,4,6-tri(propan-2-yl)phenyl]benzene

1,3-dimethyl-4-(trifluoromethyl)-2-[2,4,6-tri(propan-2-yl)phenyl]benzene (PubChem CID 58112641) has the molecular formula C24H31F3 and a molecular weight of 376.51 g/mol. Its IUPAC name is 1,3-dimethyl-4-(trifluoromethyl)-2-[2,4,6-tri(propan-2-yl)phenyl]benzene.

Molecular Properties

Compound Name1,3-dimethyl-4-(trifluoromethyl)-2-[2,4,6-tri(propan-2-yl)phenyl]benzene
PubChem CID58112641
Molecular FormulaC24H31F3
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name1,3-dimethyl-4-(trifluoromethyl)-2-[2,4,6-tri(propan-2-yl)phenyl]benzene
SMILESCc1ccc(C(F)(F)F)c(C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C24H31F3/c1-13(2)18-11-19(14(3)4)23(20(12-18)15(5)6)22-16(7)9-10-21(17(22)8)24(25,26)27/h9-15H,1-8H3
InChIKeyMDCBJXOIHSUNCC-UHFFFAOYSA-N
XLogP8.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.51
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(trifluoromethyl)-2-[2,4,6-tri(propan-2-yl)phenyl]benzene?
The IUPAC name of 1,3-dimethyl-4-(trifluoromethyl)-2-[2,4,6-tri(propan-2-yl)phenyl]benzene (CID 58112641) is 1,3-dimethyl-4-(trifluoromethyl)-2-[2,4,6-tri(propan-2-yl)phenyl]benzene.
What is the SMILES notation for 1,3-dimethyl-4-(trifluoromethyl)-2-[2,4,6-tri(propan-2-yl)phenyl]benzene?
The canonical SMILES for 1,3-dimethyl-4-(trifluoromethyl)-2-[2,4,6-tri(propan-2-yl)phenyl]benzene is Cc1ccc(C(F)(F)F)c(C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of 1,3-dimethyl-4-(trifluoromethyl)-2-[2,4,6-tri(propan-2-yl)phenyl]benzene?
The InChIKey is MDCBJXOIHSUNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3/c1-13(2)18-11-19(14(3)4)23(20(12-18)15(5)6)22-16(7)9-10-21(17(22)8)24(25,26)27/h9-15H,1-8H3.
What are the key properties of 1,3-dimethyl-4-(trifluoromethyl)-2-[2,4,6-tri(propan-2-yl)phenyl]benzene?
1,3-dimethyl-4-(trifluoromethyl)-2-[2,4,6-tri(propan-2-yl)phenyl]benzene has a molecular weight of 376.51 g/mol, XLogP of 8.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(trifluoromethyl)-2-[2,4,6-tri(propan-2-yl)phenyl]benzene is sourced from PubChem (CID 58112641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).