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

C11H11F3O — CID 20743972

IUPAC2-(3-ethenylphenyl)-1,1,1-trifluoropropan-2-ol
SMILESC=Cc1cccc(C(C)(O)C(F)(F)F)c1
InChIInChI=1S/C11H11F3O/c1-3-8-5-4-6-9(7-8)10(2,15)11(12,13)14/h3-7,15H,1H2,2H3
InChIKeyGWGPSMVMWUBZLV-UHFFFAOYSA-N
MW216.20 g/mol
LogP3.10
Rot. Bonds2

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

2-(3-ethenylphenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 20743972) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-(3-ethenylphenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(3-ethenylphenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID20743972
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name2-(3-ethenylphenyl)-1,1,1-trifluoropropan-2-ol
SMILESC=Cc1cccc(C(C)(O)C(F)(F)F)c1
InChIInChI=1S/C11H11F3O/c1-3-8-5-4-6-9(7-8)10(2,15)11(12,13)14/h3-7,15H,1H2,2H3
InChIKeyGWGPSMVMWUBZLV-UHFFFAOYSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenylphenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(3-ethenylphenyl)-1,1,1-trifluoropropan-2-ol (CID 20743972) is 2-(3-ethenylphenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(3-ethenylphenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(3-ethenylphenyl)-1,1,1-trifluoropropan-2-ol is C=Cc1cccc(C(C)(O)C(F)(F)F)c1.
What is the InChIKey of 2-(3-ethenylphenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is GWGPSMVMWUBZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O/c1-3-8-5-4-6-9(7-8)10(2,15)11(12,13)14/h3-7,15H,1H2,2H3.
What are the key properties of 2-(3-ethenylphenyl)-1,1,1-trifluoropropan-2-ol?
2-(3-ethenylphenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 216.20 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenylphenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 20743972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).