1-chloro-3-methyl-5-(2,2,2-trifluoroethoxy)benzene;ethane

C11H14ClF3O — CID 155737841

IUPAC1-chloro-3-methyl-5-(2,2,2-trifluoroethoxy)benzene;ethane
SMILESCC.Cc1cc(Cl)cc(OCC(F)(F)F)c1
InChIInChI=1S/C9H8ClF3O.C2H6/c1-6-2-7(10)4-8(3-6)14-5-9(11,12)13;1-2/h2-4H,5H2,1H3;1-2H3
InChIKeyWSNFDKQENNWOEJ-UHFFFAOYSA-N
MW254.68 g/mol
LogP4.62
Rot. Bonds2

About 1-chloro-3-methyl-5-(2,2,2-trifluoroethoxy)benzene;ethane

1-chloro-3-methyl-5-(2,2,2-trifluoroethoxy)benzene;ethane (PubChem CID 155737841) has the molecular formula C11H14ClF3O and a molecular weight of 254.68 g/mol. Its IUPAC name is 1-chloro-3-methyl-5-(2,2,2-trifluoroethoxy)benzene;ethane.

Molecular Properties

Compound Name1-chloro-3-methyl-5-(2,2,2-trifluoroethoxy)benzene;ethane
PubChem CID155737841
Molecular FormulaC11H14ClF3O
Molecular Weight254.68 g/mol
Exact Mass254.07
IUPAC Name1-chloro-3-methyl-5-(2,2,2-trifluoroethoxy)benzene;ethane
SMILESCC.Cc1cc(Cl)cc(OCC(F)(F)F)c1
InChIInChI=1S/C9H8ClF3O.C2H6/c1-6-2-7(10)4-8(3-6)14-5-9(11,12)13;1-2/h2-4H,5H2,1H3;1-2H3
InChIKeyWSNFDKQENNWOEJ-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-5-(2,2,2-trifluoroethoxy)benzonitrile
CID 149220906
[3-methyl-5-(2,2,2-trifluoroethoxy)phenyl]boronic acid
CID 164886297
1-cyclopropyl-3-methyl-5-(2,2,2-trifluoroethoxy)benzene
CID 176658555
1-chloro-3-isocyanato-5-(2,2,2-trifluoroethoxy)benzene
CID 155225222
1,3-dichloro-5-(2,2,3,3,3-pentafluoropropoxy)benzene
CID 91432208
[3-methyl-5-(2,2,2-trifluoroethoxy)phenyl]methyl methanesulfonate
CID 118084192
acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane
CID 143388365
ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene
CID 145227334
1-(2,2-dimethylpropoxy)-3-ethoxy-5-methylbenzene
CID 170603030
2-(bromomethyl)-1,3-difluoro-5-(2,2,2-trifluoroethoxy)benzene
CID 118975363
4-chloro-2-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene
CID 18741298
1-[2-(bromomethyl)-2-propylpentoxy]-3,5-dichlorobenzene
CID 65005747

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-5-(2,2,2-trifluoroethoxy)benzene;ethane?
The IUPAC name of 1-chloro-3-methyl-5-(2,2,2-trifluoroethoxy)benzene;ethane (CID 155737841) is 1-chloro-3-methyl-5-(2,2,2-trifluoroethoxy)benzene;ethane.
What is the SMILES notation for 1-chloro-3-methyl-5-(2,2,2-trifluoroethoxy)benzene;ethane?
The canonical SMILES for 1-chloro-3-methyl-5-(2,2,2-trifluoroethoxy)benzene;ethane is CC.Cc1cc(Cl)cc(OCC(F)(F)F)c1.
What is the InChIKey of 1-chloro-3-methyl-5-(2,2,2-trifluoroethoxy)benzene;ethane?
The InChIKey is WSNFDKQENNWOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O.C2H6/c1-6-2-7(10)4-8(3-6)14-5-9(11,12)13;1-2/h2-4H,5H2,1H3;1-2H3.
What are the key properties of 1-chloro-3-methyl-5-(2,2,2-trifluoroethoxy)benzene;ethane?
1-chloro-3-methyl-5-(2,2,2-trifluoroethoxy)benzene;ethane has a molecular weight of 254.68 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-5-(2,2,2-trifluoroethoxy)benzene;ethane is sourced from PubChem (CID 155737841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).