2-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol

C11H13F3O — CID 10214491

IUPAC2-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESCC(C)C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H13F3O/c1-7(2)10(15)8-5-3-4-6-9(8)11(12,13)14/h3-7,10,15H,1-2H3
InChIKeyKPTKQFZXKNMNGD-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.39
Rot. Bonds2

About 2-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol

2-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 10214491) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID10214491
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name2-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESCC(C)C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H13F3O/c1-7(2)10(15)8-5-3-4-6-9(8)11(12,13)14/h3-7,10,15H,1-2H3
InChIKeyKPTKQFZXKNMNGD-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 2-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol (CID 10214491) is 2-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol is CC(C)C(O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is KPTKQFZXKNMNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-7(2)10(15)8-5-3-4-6-9(8)11(12,13)14/h3-7,10,15H,1-2H3.
What are the key properties of 2-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
2-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 218.22 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 10214491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).