1,3-dimethyl-5-(trifluoromethyl)benzene;ethane

C11H15F3 — CID 143497301

IUPAC1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
SMILESCC.Cc1cc(C)cc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3.C2H6/c1-6-3-7(2)5-8(4-6)9(10,11)12;1-2/h3-5H,1-2H3;1-2H3
InChIKeyGSGYFXWTSIVMSL-UHFFFAOYSA-N
MW204.23 g/mol
LogP4.35
Rot. Bonds

About 1,3-dimethyl-5-(trifluoromethyl)benzene;ethane

1,3-dimethyl-5-(trifluoromethyl)benzene;ethane (PubChem CID 143497301) has the molecular formula C11H15F3 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1,3-dimethyl-5-(trifluoromethyl)benzene;ethane.

Molecular Properties

Compound Name1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
PubChem CID143497301
Molecular FormulaC11H15F3
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
SMILESCC.Cc1cc(C)cc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3.C2H6/c1-6-3-7(2)5-8(4-6)9(10,11)12;1-2/h3-5H,1-2H3;1-2H3
InChIKeyGSGYFXWTSIVMSL-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]sulfanium
CID 163603392
1-[difluoro(iodo)methyl]-3-methyl-5-(trifluoromethyl)benzene
CID 131977806
1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene
CID 142829661
1-[2-(3,5-dimethylphenyl)-1,1,2,2-tetrafluoroethyl]-3,5-dimethylbenzene
CID 139607359
1-[cyclopropyl(difluoro)methyl]-3-methyl-5-(trifluoromethyl)benzene;ethane
CID 155699105
methane;1-methyl-3,5-bis(trifluoromethyl)benzene;1,2,3,4,5-pentafluorobenzene
CID 158369663
1-(2,2-difluorocyclopropyl)-3-methyl-5-(trifluoromethyl)benzene
CID 155163789
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073
1-methyl-3,5-bis(trifluoromethyl)benzene;propane;prop-1-ene
CID 145201590
[3-methyl-5-(trifluoromethyl)phenyl]methanediamine
CID 156527532
ethane;1,3,5-trimethylbenzene
CID 91530079
1-methyl-3-[(E)-prop-1-enyl]-5-(trifluoromethyl)benzene
CID 139526492

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(trifluoromethyl)benzene;ethane?
The IUPAC name of 1,3-dimethyl-5-(trifluoromethyl)benzene;ethane (CID 143497301) is 1,3-dimethyl-5-(trifluoromethyl)benzene;ethane.
What is the SMILES notation for 1,3-dimethyl-5-(trifluoromethyl)benzene;ethane?
The canonical SMILES for 1,3-dimethyl-5-(trifluoromethyl)benzene;ethane is CC.Cc1cc(C)cc(C(F)(F)F)c1.
What is the InChIKey of 1,3-dimethyl-5-(trifluoromethyl)benzene;ethane?
The InChIKey is GSGYFXWTSIVMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3.C2H6/c1-6-3-7(2)5-8(4-6)9(10,11)12;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of 1,3-dimethyl-5-(trifluoromethyl)benzene;ethane?
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane has a molecular weight of 204.23 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(trifluoromethyl)benzene;ethane is sourced from PubChem (CID 143497301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).