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

C10H6Cl3F3 — CID 23036241

IUPAC1-methyl-3-(1,2,2-trichloroethenyl)-5-(trifluoromethyl)benzene
SMILESCc1cc(C(Cl)=C(Cl)Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C10H6Cl3F3/c1-5-2-6(8(11)9(12)13)4-7(3-5)10(14,15)16/h2-4H,1H3
InChIKeyUIEYMRXLROQMMK-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.36
Rot. Bonds1

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

1-methyl-3-(1,2,2-trichloroethenyl)-5-(trifluoromethyl)benzene (PubChem CID 23036241) has the molecular formula C10H6Cl3F3 and a molecular weight of 289.51 g/mol. Its IUPAC name is 1-methyl-3-(1,2,2-trichloroethenyl)-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methyl-3-(1,2,2-trichloroethenyl)-5-(trifluoromethyl)benzene
PubChem CID23036241
Molecular FormulaC10H6Cl3F3
Molecular Weight289.51 g/mol
Exact Mass287.95
IUPAC Name1-methyl-3-(1,2,2-trichloroethenyl)-5-(trifluoromethyl)benzene
SMILESCc1cc(C(Cl)=C(Cl)Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C10H6Cl3F3/c1-5-2-6(8(11)9(12)13)4-7(3-5)10(14,15)16/h2-4H,1H3
InChIKeyUIEYMRXLROQMMK-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-methyl-5-(trifluoromethyl)benzamide
CID 2775571
N-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanimine
CID 138698853
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
1-bromo-3-methyl-5-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)benzoic acid
CID 160510157
cyclopropyl-[3-methyl-5-(trifluoromethyl)phenyl]methanone
CID 168950566
3-methyl-5-(trifluoromethyl)benzoic acid;[3-methyl-5-(trifluoromethyl)phenyl]methanol
CID 158005309
N-methoxy-N,3-dimethyl-5-(trifluoromethyl)benzamide
CID 58319295
3-methyl-N-propyl-5-(trifluoromethyl)benzamide
CID 71119889
3-methyl-5-(1,2,2-trichloroethenyl)benzenediazonium hexafluorophosphate
CID 14033018
1-[difluoro(iodo)methyl]-3-methyl-5-(trifluoromethyl)benzene
CID 131977806
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone
CID 171949880
1-[cyclopropyl(difluoro)methyl]-3-methyl-5-(trifluoromethyl)benzene;ethane
CID 155699105

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,2,2-trichloroethenyl)-5-(trifluoromethyl)benzene?
The IUPAC name of 1-methyl-3-(1,2,2-trichloroethenyl)-5-(trifluoromethyl)benzene (CID 23036241) is 1-methyl-3-(1,2,2-trichloroethenyl)-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-methyl-3-(1,2,2-trichloroethenyl)-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-methyl-3-(1,2,2-trichloroethenyl)-5-(trifluoromethyl)benzene is Cc1cc(C(Cl)=C(Cl)Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-3-(1,2,2-trichloroethenyl)-5-(trifluoromethyl)benzene?
The InChIKey is UIEYMRXLROQMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3F3/c1-5-2-6(8(11)9(12)13)4-7(3-5)10(14,15)16/h2-4H,1H3.
What are the key properties of 1-methyl-3-(1,2,2-trichloroethenyl)-5-(trifluoromethyl)benzene?
1-methyl-3-(1,2,2-trichloroethenyl)-5-(trifluoromethyl)benzene has a molecular weight of 289.51 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,2,2-trichloroethenyl)-5-(trifluoromethyl)benzene is sourced from PubChem (CID 23036241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).