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

C11H13F3O — CID 58543603

IUPAC2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
SMILESCc1cccc(C(C)(O)C(F)(F)F)c1C
InChIInChI=1S/C11H13F3O/c1-7-5-4-6-9(8(7)2)10(3,15)11(12,13)14/h4-6,15H,1-3H3
InChIKeyUTMYGNHIPQGHOG-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.07
Rot. Bonds1

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

2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 58543603) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID58543603
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
SMILESCc1cccc(C(C)(O)C(F)(F)F)c1C
InChIInChI=1S/C11H13F3O/c1-7-5-4-6-9(8(7)2)10(3,15)11(12,13)14/h4-6,15H,1-3H3
InChIKeyUTMYGNHIPQGHOG-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1,1,1-trifluoro-2-(2-methoxy-6-methylphenyl)propan-2-ol
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1-(2,3-dimethylphenyl)-1-(3-methylphenyl)ethanol
CID 62548527
2-(2,3-dimethylphenyl)-N-methylpropan-2-amine
CID 82280621
acetyl 2,2-bis(2,3-dimethylphenyl)-2-hydroxyacetate
CID 54419247
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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol (CID 58543603) is 2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol is Cc1cccc(C(C)(O)C(F)(F)F)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is UTMYGNHIPQGHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-7-5-4-6-9(8(7)2)10(3,15)11(12,13)14/h4-6,15H,1-3H3.
What are the key properties of 2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol?
2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 218.22 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 58543603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).