1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene

C10H8F6 — CID 142829661

IUPAC1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene
SMILESCc1cc(CC(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H8F6/c1-6-2-7(5-9(11,12)13)4-8(3-6)10(14,15)16/h2-4H,5H2,1H3
InChIKeyVYMPIDRKNIRGSH-UHFFFAOYSA-N
MW242.16 g/mol
LogP4.12
Rot. Bonds1

About 1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene

1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene (PubChem CID 142829661) has the molecular formula C10H8F6 and a molecular weight of 242.16 g/mol. Its IUPAC name is 1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene
PubChem CID142829661
Molecular FormulaC10H8F6
Molecular Weight242.16 g/mol
Exact Mass242.05
IUPAC Name1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene
SMILESCc1cc(CC(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H8F6/c1-6-2-7(5-9(11,12)13)4-8(3-6)10(14,15)16/h2-4H,5H2,1H3
InChIKeyVYMPIDRKNIRGSH-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
1-methoxy-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene
CID 121297371
N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717935
1-(4,4-dimethylpentyl)-3-methyl-5-(trifluoromethyl)benzene
CID 160797824
1-methyl-3-(trifluoromethyl)-5-(trifluoromethylsulfonylmethyl)benzene
CID 158352048
N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine
CID 58563398
3-methyl-5-(trifluoromethyl)benzoic acid;[3-methyl-5-(trifluoromethyl)phenyl]methanol
CID 158005309
1-methyl-3-(trifluoromethyl)-5-[[2-(trifluoromethyl)phenyl]methyl]benzene
CID 162581958
3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylbenzaldehyde
CID 122475861
bis(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]sulfanium
CID 163603392
1-(2-cyclohexylideneethyl)-3-methyl-5-(trifluoromethyl)benzene
CID 165143471
1-[difluoro(iodo)methyl]-3-methyl-5-(trifluoromethyl)benzene
CID 131977806

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene?
The IUPAC name of 1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene (CID 142829661) is 1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene is Cc1cc(CC(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene?
The InChIKey is VYMPIDRKNIRGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6/c1-6-2-7(5-9(11,12)13)4-8(3-6)10(14,15)16/h2-4H,5H2,1H3.
What are the key properties of 1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene?
1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene has a molecular weight of 242.16 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene is sourced from PubChem (CID 142829661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).