2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene

C10H10ClF3O — CID 124704375

IUPAC2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene
SMILESCC(C)Oc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3O/c1-6(2)15-9-4-3-7(5-8(9)11)10(12,13)14/h3-6H,1-2H3
InChIKeyWTSXALLSMXUNNC-UHFFFAOYSA-N
MW238.64 g/mol
LogP4.15
Rot. Bonds2

About 2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene

2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene (PubChem CID 124704375) has the molecular formula C10H10ClF3O and a molecular weight of 238.64 g/mol. Its IUPAC name is 2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene
PubChem CID124704375
Molecular FormulaC10H10ClF3O
Molecular Weight238.64 g/mol
Exact Mass238.04
IUPAC Name2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene
SMILESCC(C)Oc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3O/c1-6(2)15-9-4-3-7(5-8(9)11)10(12,13)14/h3-6H,1-2H3
InChIKeyWTSXALLSMXUNNC-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-propan-2-yloxy-5-(trifluoromethyl)aniline;hydrochloride
CID 2894791
[2-chloro-4-(trifluoromethyl)phenoxy]-methylidene-λ3-iodane
CID 162584901
3-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylpropyl]pyrrolidine
CID 66848683
ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoropropanoate
CID 105426766
2-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde
CID 157049199
1-amino-2-(3-chloro-4-propan-2-yloxyphenyl)propan-2-ol
CID 82293995
1-(3-chloro-4-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol
CID 83953043
2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanenitrile
CID 20536118
1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene
CID 70799689
2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride
CID 13237071
2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpentan-1-amine
CID 112519805
ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoate
CID 105426760

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene (CID 124704375) is 2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene is CC(C)Oc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene?
The InChIKey is WTSXALLSMXUNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3O/c1-6(2)15-9-4-3-7(5-8(9)11)10(12,13)14/h3-6H,1-2H3.
What are the key properties of 2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene?
2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene has a molecular weight of 238.64 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene is sourced from PubChem (CID 124704375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).