3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol

C11H13F3O — CID 14872288

IUPAC3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
SMILESCc1ccc(C)c(CC(O)C(F)(F)F)c1
InChIInChI=1S/C11H13F3O/c1-7-3-4-8(2)9(5-7)6-10(15)11(12,13)14/h3-5,10,15H,6H2,1-2H3
InChIKeyGFTVSAFMVWBXDV-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.77
Rot. Bonds2

About 3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol

3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 14872288) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID14872288
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
SMILESCc1ccc(C)c(CC(O)C(F)(F)F)c1
InChIInChI=1S/C11H13F3O/c1-7-3-4-8(2)9(5-7)6-10(15)11(12,13)14/h3-5,10,15H,6H2,1-2H3
InChIKeyGFTVSAFMVWBXDV-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol (CID 14872288) is 3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol is Cc1ccc(C)c(CC(O)C(F)(F)F)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is GFTVSAFMVWBXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-7-3-4-8(2)9(5-7)6-10(15)11(12,13)14/h3-5,10,15H,6H2,1-2H3.
What are the key properties of 3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol?
3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 218.22 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 14872288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).