1-methyl-3,5-bis(3,3,3-trifluoro-2,2-dimethylpropyl)benzene

C17H22F6 — CID 176585607

IUPAC1-methyl-3,5-bis(3,3,3-trifluoro-2,2-dimethylpropyl)benzene
SMILESCc1cc(CC(C)(C)C(F)(F)F)cc(CC(C)(C)C(F)(F)F)c1
InChIInChI=1S/C17H22F6/c1-11-6-12(9-14(2,3)16(18,19)20)8-13(7-11)10-15(4,5)17(21,22)23/h6-8H,9-10H2,1-5H3
InChIKeyHQMWUAPJRKDOTE-UHFFFAOYSA-N
MW340.35 g/mol
LogP6.26
Rot. Bonds4

About 1-methyl-3,5-bis(3,3,3-trifluoro-2,2-dimethylpropyl)benzene

1-methyl-3,5-bis(3,3,3-trifluoro-2,2-dimethylpropyl)benzene (PubChem CID 176585607) has the molecular formula C17H22F6 and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-methyl-3,5-bis(3,3,3-trifluoro-2,2-dimethylpropyl)benzene.

Molecular Properties

Compound Name1-methyl-3,5-bis(3,3,3-trifluoro-2,2-dimethylpropyl)benzene
PubChem CID176585607
Molecular FormulaC17H22F6
Molecular Weight340.35 g/mol
Exact Mass340.16
IUPAC Name1-methyl-3,5-bis(3,3,3-trifluoro-2,2-dimethylpropyl)benzene
SMILESCc1cc(CC(C)(C)C(F)(F)F)cc(CC(C)(C)C(F)(F)F)c1
InChIInChI=1S/C17H22F6/c1-11-6-12(9-14(2,3)16(18,19)20)8-13(7-11)10-15(4,5)17(21,22)23/h6-8H,9-10H2,1-5H3
InChIKeyHQMWUAPJRKDOTE-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.35
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-5-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-2,6-bis(trifluoromethyl)phenyl]-1,3-bis(trifluoromethyl)benzene
CID 169277761
1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 139245832
2-(3,5-dimethylphenyl)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)quinoline
CID 138464235
1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene
CID 142829661
3-(3,5-dimethylphenyl)-2,2-dimethylpropanenitrile
CID 65379308
1,2-dimethyl-4-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]benzene
CID 165172707
1-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)benzene
CID 166564224
1,3-dimethyl-5-(trifluoromethylsulfonylmethyl)benzene
CID 125137259
7-(3,5-dimethylphenyl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine
CID 169301174
CID 140940252
CID 140940252
N-[1-(3,5-dimethylphenyl)-2-methylpropan-2-yl]formamide
CID 86078614
5-(3,5-dimethylphenyl)-4,4-dimethylpentan-2-one
CID 64716140

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5-bis(3,3,3-trifluoro-2,2-dimethylpropyl)benzene?
The IUPAC name of 1-methyl-3,5-bis(3,3,3-trifluoro-2,2-dimethylpropyl)benzene (CID 176585607) is 1-methyl-3,5-bis(3,3,3-trifluoro-2,2-dimethylpropyl)benzene.
What is the SMILES notation for 1-methyl-3,5-bis(3,3,3-trifluoro-2,2-dimethylpropyl)benzene?
The canonical SMILES for 1-methyl-3,5-bis(3,3,3-trifluoro-2,2-dimethylpropyl)benzene is Cc1cc(CC(C)(C)C(F)(F)F)cc(CC(C)(C)C(F)(F)F)c1.
What is the InChIKey of 1-methyl-3,5-bis(3,3,3-trifluoro-2,2-dimethylpropyl)benzene?
The InChIKey is HQMWUAPJRKDOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F6/c1-11-6-12(9-14(2,3)16(18,19)20)8-13(7-11)10-15(4,5)17(21,22)23/h6-8H,9-10H2,1-5H3.
What are the key properties of 1-methyl-3,5-bis(3,3,3-trifluoro-2,2-dimethylpropyl)benzene?
1-methyl-3,5-bis(3,3,3-trifluoro-2,2-dimethylpropyl)benzene has a molecular weight of 340.35 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5-bis(3,3,3-trifluoro-2,2-dimethylpropyl)benzene is sourced from PubChem (CID 176585607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).