1-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)benzene

C11H12ClF3O — CID 59627189

IUPAC1-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)benzene
SMILESCC(C)(C)Oc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H12ClF3O/c1-10(2,3)16-7-4-5-9(12)8(6-7)11(13,14)15/h4-6H,1-3H3
InChIKeyYKSSJTBNRUMDRN-UHFFFAOYSA-N
MW252.66 g/mol
LogP4.54
Rot. Bonds1

About 1-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)benzene

1-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)benzene (PubChem CID 59627189) has the molecular formula C11H12ClF3O and a molecular weight of 252.66 g/mol. Its IUPAC name is 1-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)benzene
PubChem CID59627189
Molecular FormulaC11H12ClF3O
Molecular Weight252.66 g/mol
Exact Mass252.05
IUPAC Name1-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)benzene
SMILESCC(C)(C)Oc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H12ClF3O/c1-10(2,3)16-7-4-5-9(12)8(6-7)11(13,14)15/h4-6H,1-3H3
InChIKeyYKSSJTBNRUMDRN-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 458156
2-(4-Chloro-meta-tolyloxy)-ethanol
CID 136551
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CID 74438
1-Chloro-4-tert-butoxybenzene
CID 140458
4-Chloro-3,5-dimethylanisole
CID 598497
1,2-Propanediol, 3-(4-chloro-m-tolyloxy)-
CID 113940
4-Chloro-3-(trifluoromethyl)anisole
CID 2773853
Beta-chloro-3-methyl-alpha,alpha,beta-trifluorophenetole
CID 296304
1-Chloro-4-(difluoromethoxy)-2-ethylbenzene
CID 2119406
1-(4-Chloro-3-methylphenoxy)-2-propanol
CID 20286033
1-Butoxy-3-(trifluoromethyl)benzene
CID 11275995
4-Chloro-3-methylphenyl acetate
CID 521555

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)benzene (CID 59627189) is 1-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)benzene is CC(C)(C)Oc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)benzene?
The InChIKey is YKSSJTBNRUMDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3O/c1-10(2,3)16-7-4-5-9(12)8(6-7)11(13,14)15/h4-6H,1-3H3.
What are the key properties of 1-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)benzene?
1-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)benzene has a molecular weight of 252.66 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 59627189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).