1,2-dimethyl-4-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]benzene

C20H23F3 — CID 165172707

IUPAC1,2-dimethyl-4-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(CC(C)(C)C(F)(F)F)cc2C)cc1C
InChIInChI=1S/C20H23F3/c1-13-6-8-17(11-14(13)2)18-9-7-16(10-15(18)3)12-19(4,5)20(21,22)23/h6-11H,12H2,1-5H3
InChIKeyDPWWCGJCBNIDBM-UHFFFAOYSA-N
MW320.40 g/mol
LogP6.41
Rot. Bonds3

About 1,2-dimethyl-4-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]benzene

1,2-dimethyl-4-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]benzene (PubChem CID 165172707) has the molecular formula C20H23F3 and a molecular weight of 320.40 g/mol. Its IUPAC name is 1,2-dimethyl-4-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]benzene.

Molecular Properties

Compound Name1,2-dimethyl-4-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]benzene
PubChem CID165172707
Molecular FormulaC20H23F3
Molecular Weight320.40 g/mol
Exact Mass320.18
IUPAC Name1,2-dimethyl-4-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(CC(C)(C)C(F)(F)F)cc2C)cc1C
InChIInChI=1S/C20H23F3/c1-13-6-8-17(11-14(13)2)18-9-7-16(10-15(18)3)12-19(4,5)20(21,22)23/h6-11H,12H2,1-5H3
InChIKeyDPWWCGJCBNIDBM-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.40
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3,4-dimethylphenyl)-4-(2,2-dimethylpropyl)-2-methylbenzene
CID 162137474
1,2-dimethyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]benzene
CID 134199507
4-[2-[(3,4-dimethylphenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,2-dimethylbenzene
CID 126515390
4-(2,2-dimethylpropyl)-2-methyl-1-(4-methylphenyl)benzene
CID 163976840
4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane
CID 157353786
4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene
CID 158847431
6-(4-tert-butylnaphthalen-2-yl)-3-methyl-4-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]pyridazine
CID 164729416
N-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481812
2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene
CID 142940681
1-methyl-3,5-bis(3,3,3-trifluoro-2,2-dimethylpropyl)benzene
CID 176585607
2,4-dimethyl-1-[3-methyl-4-(trifluoromethyl)phenyl]benzene
CID 155129747
1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 139245832

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]benzene?
The IUPAC name of 1,2-dimethyl-4-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]benzene (CID 165172707) is 1,2-dimethyl-4-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]benzene.
What is the SMILES notation for 1,2-dimethyl-4-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]benzene?
The canonical SMILES for 1,2-dimethyl-4-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]benzene is Cc1ccc(-c2ccc(CC(C)(C)C(F)(F)F)cc2C)cc1C.
What is the InChIKey of 1,2-dimethyl-4-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]benzene?
The InChIKey is DPWWCGJCBNIDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3/c1-13-6-8-17(11-14(13)2)18-9-7-16(10-15(18)3)12-19(4,5)20(21,22)23/h6-11H,12H2,1-5H3.
What are the key properties of 1,2-dimethyl-4-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]benzene?
1,2-dimethyl-4-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]benzene has a molecular weight of 320.40 g/mol, XLogP of 6.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]benzene is sourced from PubChem (CID 165172707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).