1-chloro-2-ethyl-4-(trifluoromethoxy)benzene

C9H8ClF3O — CID 70889099

IUPAC1-chloro-2-ethyl-4-(trifluoromethoxy)benzene
SMILESCCc1cc(OC(F)(F)F)ccc1Cl
InChIInChI=1S/C9H8ClF3O/c1-2-6-5-7(3-4-8(6)10)14-9(11,12)13/h3-5H,2H2,1H3
InChIKeyXCEWQIMZPSMMFH-UHFFFAOYSA-N
MW224.61 g/mol
LogP3.80
Rot. Bonds2

About 1-chloro-2-ethyl-4-(trifluoromethoxy)benzene

1-chloro-2-ethyl-4-(trifluoromethoxy)benzene (PubChem CID 70889099) has the molecular formula C9H8ClF3O and a molecular weight of 224.61 g/mol. Its IUPAC name is 1-chloro-2-ethyl-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-chloro-2-ethyl-4-(trifluoromethoxy)benzene
PubChem CID70889099
Molecular FormulaC9H8ClF3O
Molecular Weight224.61 g/mol
Exact Mass224.02
IUPAC Name1-chloro-2-ethyl-4-(trifluoromethoxy)benzene
SMILESCCc1cc(OC(F)(F)F)ccc1Cl
InChIInChI=1S/C9H8ClF3O/c1-2-6-5-7(3-4-8(6)10)14-9(11,12)13/h3-5H,2H2,1H3
InChIKeyXCEWQIMZPSMMFH-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-chloro-5-(trifluoromethoxy)phenyl]methanamine
CID 118990752
2-(chloromethyl)-1-ethyl-4-(trifluoromethoxy)benzene
CID 170998693
1-[2-chloro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one
CID 146009854
methyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999181
2-ethyl-4-(trifluoromethoxy)benzamide
CID 141054178
ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999189
2-chloro-5-(trifluoromethoxy)benzenethiol
CID 170997751
2-(4-chloro-3-ethylphenoxy)-2-methyl-N-propylbutan-1-amine
CID 55195419
1-chloro-2-methylsulfanyl-4-(trifluoromethoxy)benzene
CID 170998677
potassium (4-chloro-3-ethylphenoxy)methyl-trifluoroboranuide
CID 63701817
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987
(4-chloro-3-ethylphenyl) hydrogen sulfite
CID 57231070

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethyl-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-chloro-2-ethyl-4-(trifluoromethoxy)benzene (CID 70889099) is 1-chloro-2-ethyl-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-chloro-2-ethyl-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-chloro-2-ethyl-4-(trifluoromethoxy)benzene is CCc1cc(OC(F)(F)F)ccc1Cl.
What is the InChIKey of 1-chloro-2-ethyl-4-(trifluoromethoxy)benzene?
The InChIKey is XCEWQIMZPSMMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O/c1-2-6-5-7(3-4-8(6)10)14-9(11,12)13/h3-5H,2H2,1H3.
What are the key properties of 1-chloro-2-ethyl-4-(trifluoromethoxy)benzene?
1-chloro-2-ethyl-4-(trifluoromethoxy)benzene has a molecular weight of 224.61 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethyl-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 70889099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).