1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene

C12H15F3O — CID 18721654

IUPAC1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene
SMILESCC(C)(C)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3O/c1-11(2,3)8-16-10-6-4-5-9(7-10)12(13,14)15/h4-7H,8H2,1-3H3
InChIKeyUEBFTGGATPMIIK-UHFFFAOYSA-N
MW232.24 g/mol
LogP4.13
Rot. Bonds2

About 1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene

1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene (PubChem CID 18721654) has the molecular formula C12H15F3O and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene
PubChem CID18721654
Molecular FormulaC12H15F3O
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene
SMILESCC(C)(C)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3O/c1-11(2,3)8-16-10-6-4-5-9(7-10)12(13,14)15/h4-7H,8H2,1-3H3
InChIKeyUEBFTGGATPMIIK-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,3-dimethylbutoxy)-3-(trifluoromethyl)benzene
CID 58044614
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 11009853
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088
1-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 14574936
4,4-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pentan-1-ol
CID 117241893
3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 67274409
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
2,2-dimethyl-5-[3-(trifluoromethyl)phenoxy]pentan-1-amine
CID 65256118
3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline
CID 43366096
2-methyl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 62352644
N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine
CID 2993848

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene (CID 18721654) is 1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene is CC(C)(C)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene?
The InChIKey is UEBFTGGATPMIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O/c1-11(2,3)8-16-10-6-4-5-9(7-10)12(13,14)15/h4-7H,8H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene?
1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene has a molecular weight of 232.24 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 18721654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).