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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Related Compounds

1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 23570047
1,1,1-trifluoro-2-[3-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]propan-2-ol
CID 89211813
(2S)-2-amino-2-(3-ethenylphenyl)propan-1-ol
CID 55276189
3-(2-hydroxy-3,3-dimethylbutan-2-yl)benzaldehyde
CID 115024778
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 23528246
1,1,1-trifluoro-2-[3-(1-methylcyclopropyl)phenyl]propan-2-ol
CID 162620604
ethane;methanol;styrene;1,1,1-trifluoroethane
CID 91236392
2-[3-ethenyl-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20829137
2-[3-(4-ethenylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 89424064
3,3-dimethyl-2-[3-(trifluoromethoxy)phenyl]butan-2-ol
CID 113302780
propan-2-yl N-[2-(3-ethenylphenyl)propan-2-yl]carbamate
CID 141340360

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).