4-chloro-2-methyl-1-(trifluoromethoxy)benzene;ethane

C10H12ClF3O — CID 143548597

IUPAC4-chloro-2-methyl-1-(trifluoromethoxy)benzene;ethane
SMILESCC.Cc1cc(Cl)ccc1OC(F)(F)F
InChIInChI=1S/C8H6ClF3O.C2H6/c1-5-4-6(9)2-3-7(5)13-8(10,11)12;1-2/h2-4H,1H3;1-2H3
InChIKeyUWYQFDBASDSFGN-UHFFFAOYSA-N
MW240.65 g/mol
LogP4.57
Rot. Bonds1

About 4-chloro-2-methyl-1-(trifluoromethoxy)benzene;ethane

4-chloro-2-methyl-1-(trifluoromethoxy)benzene;ethane (PubChem CID 143548597) has the molecular formula C10H12ClF3O and a molecular weight of 240.65 g/mol. Its IUPAC name is 4-chloro-2-methyl-1-(trifluoromethoxy)benzene;ethane.

Molecular Properties

Compound Name4-chloro-2-methyl-1-(trifluoromethoxy)benzene;ethane
PubChem CID143548597
Molecular FormulaC10H12ClF3O
Molecular Weight240.65 g/mol
Exact Mass240.05
IUPAC Name4-chloro-2-methyl-1-(trifluoromethoxy)benzene;ethane
SMILESCC.Cc1cc(Cl)ccc1OC(F)(F)F
InChIInChI=1S/C8H6ClF3O.C2H6/c1-5-4-6(9)2-3-7(5)13-8(10,11)12;1-2/h2-4H,1H3;1-2H3
InChIKeyUWYQFDBASDSFGN-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-bromo-2-methylpropan-2-yl)oxy-4-chloro-2-methylbenzene
CID 82093771
4-chloro-2-[3-methyl-4-(trifluoromethoxy)phenyl]-1-pentan-3-ylbenzene
CID 126760648
4-chloro-2-methyl-1-(2-methylbut-3-yn-2-yloxy)benzene
CID 126727889
2,2-bis(4-chloro-2-methylphenoxy)propanedioic acid
CID 154145035
4-chloro-2-(trifluoromethoxy)phenol
CID 58046341
3-methyl-4-(trifluoromethoxy)benzaldehyde
CID 88929764
2-chloro-4-fluoro-1-[3-methyl-4-(trifluoromethoxy)phenyl]benzene
CID 58902883
2-chloro-N-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide
CID 166430570
1-[5-chloro-2-(trifluoromethoxy)phenyl]-3-methyl-1,2,4-triazole
CID 166607522
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
2-(4-chloro-2-methylphenoxy)-N-(2,6-difluorophenyl)-2,2-difluoroacetamide
CID 1483207
2-methyl-4-(2-methylphenyl)-1-(trifluoromethoxy)benzene
CID 69483176

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-1-(trifluoromethoxy)benzene;ethane?
The IUPAC name of 4-chloro-2-methyl-1-(trifluoromethoxy)benzene;ethane (CID 143548597) is 4-chloro-2-methyl-1-(trifluoromethoxy)benzene;ethane.
What is the SMILES notation for 4-chloro-2-methyl-1-(trifluoromethoxy)benzene;ethane?
The canonical SMILES for 4-chloro-2-methyl-1-(trifluoromethoxy)benzene;ethane is CC.Cc1cc(Cl)ccc1OC(F)(F)F.
What is the InChIKey of 4-chloro-2-methyl-1-(trifluoromethoxy)benzene;ethane?
The InChIKey is UWYQFDBASDSFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3O.C2H6/c1-5-4-6(9)2-3-7(5)13-8(10,11)12;1-2/h2-4H,1H3;1-2H3.
What are the key properties of 4-chloro-2-methyl-1-(trifluoromethoxy)benzene;ethane?
4-chloro-2-methyl-1-(trifluoromethoxy)benzene;ethane has a molecular weight of 240.65 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-1-(trifluoromethoxy)benzene;ethane is sourced from PubChem (CID 143548597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).