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

C11H12ClF3O — CID 166607807

IUPAC1-chloro-2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene
SMILESCC(C)(C)Oc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H12ClF3O/c1-10(2,3)16-9-6-7(11(13,14)15)4-5-8(9)12/h4-6H,1-3H3
InChIKeyRWLJCMFJCGUBAN-UHFFFAOYSA-N
MW252.66 g/mol
LogP4.54
Rot. Bonds1

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

1-chloro-2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene (PubChem CID 166607807) has the molecular formula C11H12ClF3O and a molecular weight of 252.66 g/mol. Its IUPAC name is 1-chloro-2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene
PubChem CID166607807
Molecular FormulaC11H12ClF3O
Molecular Weight252.66 g/mol
Exact Mass252.05
IUPAC Name1-chloro-2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene
SMILESCC(C)(C)Oc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H12ClF3O/c1-10(2,3)16-9-6-7(11(13,14)15)4-5-8(9)12/h4-6H,1-3H3
InChIKeyRWLJCMFJCGUBAN-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

CID 87363082
CID 87363082
4-bromo-1-chloro-2-[(2-methylpropan-2-yl)oxy]benzene
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CID 71212803
CID 71212803
2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene
CID 124704375
1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene
CID 70799689
1-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)benzene
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ethyl 2-[2-chloro-5-(trifluoromethyl)phenoxy]acetate
CID 83409150
cis-(1R,2R)-2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine
CID 86676669
2-chloro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(trifluoromethyl)aniline
CID 112589100
2-chloro-4-[2-chloro-5-(trifluoromethyl)phenoxy]pyrimidine
CID 140995544
2-[bromo-(2-methylphenyl)methoxy]-1-chloro-4-(trifluoromethyl)benzene
CID 67324705
1-[4-chloro-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 59637041

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene (CID 166607807) is 1-chloro-2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene is CC(C)(C)Oc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 1-chloro-2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene?
The InChIKey is RWLJCMFJCGUBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3O/c1-10(2,3)16-9-6-7(11(13,14)15)4-5-8(9)12/h4-6H,1-3H3.
What are the key properties of 1-chloro-2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene?
1-chloro-2-[(2-methylpropan-2-yl)oxy]-4-(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-2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 166607807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).