1,1,1-trifluoro-2-[5-(2-hydroxypropan-2-yl)-2,4-dimethylphenyl]propan-2-ol

C14H19F3O2 — CID 118176007

IUPAC1,1,1-trifluoro-2-[5-(2-hydroxypropan-2-yl)-2,4-dimethylphenyl]propan-2-ol
SMILESCc1cc(C)c(C(C)(O)C(F)(F)F)cc1C(C)(C)O
InChIInChI=1S/C14H19F3O2/c1-8-6-9(2)11(7-10(8)12(3,4)18)13(5,19)14(15,16)17/h6-7,18-19H,1-5H3
InChIKeyJLWAWGVLVRGNOM-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.30
Rot. Bonds2

About 1,1,1-trifluoro-2-[5-(2-hydroxypropan-2-yl)-2,4-dimethylphenyl]propan-2-ol

1,1,1-trifluoro-2-[5-(2-hydroxypropan-2-yl)-2,4-dimethylphenyl]propan-2-ol (PubChem CID 118176007) has the molecular formula C14H19F3O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[5-(2-hydroxypropan-2-yl)-2,4-dimethylphenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[5-(2-hydroxypropan-2-yl)-2,4-dimethylphenyl]propan-2-ol
PubChem CID118176007
Molecular FormulaC14H19F3O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name1,1,1-trifluoro-2-[5-(2-hydroxypropan-2-yl)-2,4-dimethylphenyl]propan-2-ol
SMILESCc1cc(C)c(C(C)(O)C(F)(F)F)cc1C(C)(C)O
InChIInChI=1S/C14H19F3O2/c1-8-6-9(2)11(7-10(8)12(3,4)18)13(5,19)14(15,16)17/h6-7,18-19H,1-5H3
InChIKeyJLWAWGVLVRGNOM-UHFFFAOYSA-N
XLogP3.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[5-(2-hydroxypropan-2-yl)-2,4-dimethylphenyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[5-(2-hydroxypropan-2-yl)-2,4-dimethylphenyl]propan-2-ol (CID 118176007) is 1,1,1-trifluoro-2-[5-(2-hydroxypropan-2-yl)-2,4-dimethylphenyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[5-(2-hydroxypropan-2-yl)-2,4-dimethylphenyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[5-(2-hydroxypropan-2-yl)-2,4-dimethylphenyl]propan-2-ol is Cc1cc(C)c(C(C)(O)C(F)(F)F)cc1C(C)(C)O.
What is the InChIKey of 1,1,1-trifluoro-2-[5-(2-hydroxypropan-2-yl)-2,4-dimethylphenyl]propan-2-ol?
The InChIKey is JLWAWGVLVRGNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O2/c1-8-6-9(2)11(7-10(8)12(3,4)18)13(5,19)14(15,16)17/h6-7,18-19H,1-5H3.
What are the key properties of 1,1,1-trifluoro-2-[5-(2-hydroxypropan-2-yl)-2,4-dimethylphenyl]propan-2-ol?
1,1,1-trifluoro-2-[5-(2-hydroxypropan-2-yl)-2,4-dimethylphenyl]propan-2-ol has a molecular weight of 276.30 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[5-(2-hydroxypropan-2-yl)-2,4-dimethylphenyl]propan-2-ol is sourced from PubChem (CID 118176007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).