1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene

C12H15F3O — CID 81005193

IUPAC1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene
SMILESCc1ccc(C(C)C)cc1OCC(F)(F)F
InChIInChI=1S/C12H15F3O/c1-8(2)10-5-4-9(3)11(6-10)16-7-12(13,14)15/h4-6,8H,7H2,1-3H3
InChIKeyUUSLFHXASGMAEE-UHFFFAOYSA-N
MW232.24 g/mol
LogP4.06
Rot. Bonds3

About 1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene

1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene (PubChem CID 81005193) has the molecular formula C12H15F3O and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene
PubChem CID81005193
Molecular FormulaC12H15F3O
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene
SMILESCc1ccc(C(C)C)cc1OCC(F)(F)F
InChIInChI=1S/C12H15F3O/c1-8(2)10-5-4-9(3)11(6-10)16-7-12(13,14)15/h4-6,8H,7H2,1-3H3
InChIKeyUUSLFHXASGMAEE-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-bis[(2-methyl-5-propan-2-ylphenoxy)methyl]propane-1,3-diol
CID 24843314
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one
CID 60623601
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene
CID 82924112
2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene
CID 81005195
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
CID 61035897
N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine
CID 61036143
2-hexoxy-1-methyl-4-propan-2-ylbenzene
CID 81004927
2-[(4-ethylphenyl)methoxy]-1-methyl-4-propan-2-ylbenzene
CID 81005543
1-methyl-4-nitro-2-(2,2,2-trifluoroethoxy)benzene
CID 18700159
2-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 78906214

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene (CID 81005193) is 1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene is Cc1ccc(C(C)C)cc1OCC(F)(F)F.
What is the InChIKey of 1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is UUSLFHXASGMAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O/c1-8(2)10-5-4-9(3)11(6-10)16-7-12(13,14)15/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene?
1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 232.24 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 81005193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).