1-chloro-5-methoxy-4-methyl-2-(trifluoromethyl)benzene;ethane

C11H14ClF3O — CID 144720403

IUPAC1-chloro-5-methoxy-4-methyl-2-(trifluoromethyl)benzene;ethane
SMILESCC.COc1cc(Cl)c(C(F)(F)F)cc1C
InChIInChI=1S/C9H8ClF3O.C2H6/c1-5-3-6(9(11,12)13)7(10)4-8(5)14-2;1-2/h3-4H,1-2H3;1-2H3
InChIKeyPQRVZVDTVQFYOH-UHFFFAOYSA-N
MW254.68 g/mol
LogP4.70
Rot. Bonds1

About 1-chloro-5-methoxy-4-methyl-2-(trifluoromethyl)benzene;ethane

1-chloro-5-methoxy-4-methyl-2-(trifluoromethyl)benzene;ethane (PubChem CID 144720403) has the molecular formula C11H14ClF3O and a molecular weight of 254.68 g/mol. Its IUPAC name is 1-chloro-5-methoxy-4-methyl-2-(trifluoromethyl)benzene;ethane.

Molecular Properties

Compound Name1-chloro-5-methoxy-4-methyl-2-(trifluoromethyl)benzene;ethane
PubChem CID144720403
Molecular FormulaC11H14ClF3O
Molecular Weight254.68 g/mol
Exact Mass254.07
IUPAC Name1-chloro-5-methoxy-4-methyl-2-(trifluoromethyl)benzene;ethane
SMILESCC.COc1cc(Cl)c(C(F)(F)F)cc1C
InChIInChI=1S/C9H8ClF3O.C2H6/c1-5-3-6(9(11,12)13)7(10)4-8(5)14-2;1-2/h3-4H,1-2H3;1-2H3
InChIKeyPQRVZVDTVQFYOH-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-methoxy-4-methyl-2-(trifluoromethyl)benzene;ethane?
The IUPAC name of 1-chloro-5-methoxy-4-methyl-2-(trifluoromethyl)benzene;ethane (CID 144720403) is 1-chloro-5-methoxy-4-methyl-2-(trifluoromethyl)benzene;ethane.
What is the SMILES notation for 1-chloro-5-methoxy-4-methyl-2-(trifluoromethyl)benzene;ethane?
The canonical SMILES for 1-chloro-5-methoxy-4-methyl-2-(trifluoromethyl)benzene;ethane is CC.COc1cc(Cl)c(C(F)(F)F)cc1C.
What is the InChIKey of 1-chloro-5-methoxy-4-methyl-2-(trifluoromethyl)benzene;ethane?
The InChIKey is PQRVZVDTVQFYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O.C2H6/c1-5-3-6(9(11,12)13)7(10)4-8(5)14-2;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of 1-chloro-5-methoxy-4-methyl-2-(trifluoromethyl)benzene;ethane?
1-chloro-5-methoxy-4-methyl-2-(trifluoromethyl)benzene;ethane has a molecular weight of 254.68 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-methoxy-4-methyl-2-(trifluoromethyl)benzene;ethane is sourced from PubChem (CID 144720403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).