5-ethenyl-2-(trifluoromethyl)phenol

C9H7F3O — CID 154471401

IUPAC5-ethenyl-2-(trifluoromethyl)phenol
SMILESC=Cc1ccc(C(F)(F)F)c(O)c1
InChIInChI=1S/C9H7F3O/c1-2-6-3-4-7(8(13)5-6)9(10,11)12/h2-5,13H,1H2
InChIKeyPXLDUARPBJAVRR-UHFFFAOYSA-N
MW188.15 g/mol
LogP3.05
Rot. Bonds1

About 5-ethenyl-2-(trifluoromethyl)phenol

5-ethenyl-2-(trifluoromethyl)phenol (PubChem CID 154471401) has the molecular formula C9H7F3O and a molecular weight of 188.15 g/mol. Its IUPAC name is 5-ethenyl-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name5-ethenyl-2-(trifluoromethyl)phenol
PubChem CID154471401
Molecular FormulaC9H7F3O
Molecular Weight188.15 g/mol
Exact Mass188.04
IUPAC Name5-ethenyl-2-(trifluoromethyl)phenol
SMILESC=Cc1ccc(C(F)(F)F)c(O)c1
InChIInChI=1S/C9H7F3O/c1-2-6-3-4-7(8(13)5-6)9(10,11)12/h2-5,13H,1H2
InChIKeyPXLDUARPBJAVRR-UHFFFAOYSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethenyl-2,6-bis(trifluoromethyl)phenol
CID 148734755
5-ethenyl-N-methyl-2-(trifluoromethyl)benzamide
CID 171361982
4-ethenyl-1-propoxy-2-(trifluoromethyl)benzene
CID 118268755
5-ethenyl-N-propan-2-yl-2-(trifluoromethyl)benzamide
CID 171361984
5-ethenyl-N-ethyl-2-(trifluoromethyl)benzamide
CID 171361983
2,4-bis(ethenyl)phenol
CID 18541843
4-ethenylbenzene-1,2-diol;2,2,2-trichloroacetic acid
CID 175435134
actinium;3,4-dihydroxybenzaldehyde;4-ethenylbenzene-1,2-diol
CID 160848068
2-(trifluoromethyl)phenol
CID 162212145
5-ethenyl-2-(hydroxyiminomethyl)phenol
CID 140585700
4-ethenyl-2-methylphenol;styrene
CID 158833032
4-[(E)-3,3,3-trifluoroprop-1-enyl]benzene-1,2-diol
CID 102235179

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-(trifluoromethyl)phenol?
The IUPAC name of 5-ethenyl-2-(trifluoromethyl)phenol (CID 154471401) is 5-ethenyl-2-(trifluoromethyl)phenol.
What is the SMILES notation for 5-ethenyl-2-(trifluoromethyl)phenol?
The canonical SMILES for 5-ethenyl-2-(trifluoromethyl)phenol is C=Cc1ccc(C(F)(F)F)c(O)c1.
What is the InChIKey of 5-ethenyl-2-(trifluoromethyl)phenol?
The InChIKey is PXLDUARPBJAVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O/c1-2-6-3-4-7(8(13)5-6)9(10,11)12/h2-5,13H,1H2.
What are the key properties of 5-ethenyl-2-(trifluoromethyl)phenol?
5-ethenyl-2-(trifluoromethyl)phenol has a molecular weight of 188.15 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-(trifluoromethyl)phenol is sourced from PubChem (CID 154471401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).