1-[2-(methylamino)-6-(trifluoromethyl)phenyl]ethenol

C10H10F3NO — CID 143943277

IUPAC1-[2-(methylamino)-6-(trifluoromethyl)phenyl]ethenol
SMILESC=C(O)c1c(NC)cccc1C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-6(15)9-7(10(11,12)13)4-3-5-8(9)14-2/h3-5,14-15H,1H2,2H3
InChIKeyDPTXUIYMKJZJKF-UHFFFAOYSA-N
MW217.19 g/mol
LogP3.28
Rot. Bonds2

About 1-[2-(methylamino)-6-(trifluoromethyl)phenyl]ethenol

1-[2-(methylamino)-6-(trifluoromethyl)phenyl]ethenol (PubChem CID 143943277) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 1-[2-(methylamino)-6-(trifluoromethyl)phenyl]ethenol.

Molecular Properties

Compound Name1-[2-(methylamino)-6-(trifluoromethyl)phenyl]ethenol
PubChem CID143943277
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name1-[2-(methylamino)-6-(trifluoromethyl)phenyl]ethenol
SMILESC=C(O)c1c(NC)cccc1C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-6(15)9-7(10(11,12)13)4-3-5-8(9)14-2/h3-5,14-15H,1H2,2H3
InChIKeyDPTXUIYMKJZJKF-UHFFFAOYSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)-6-(trifluoromethyl)phenyl]ethenol?
The IUPAC name of 1-[2-(methylamino)-6-(trifluoromethyl)phenyl]ethenol (CID 143943277) is 1-[2-(methylamino)-6-(trifluoromethyl)phenyl]ethenol.
What is the SMILES notation for 1-[2-(methylamino)-6-(trifluoromethyl)phenyl]ethenol?
The canonical SMILES for 1-[2-(methylamino)-6-(trifluoromethyl)phenyl]ethenol is C=C(O)c1c(NC)cccc1C(F)(F)F.
What is the InChIKey of 1-[2-(methylamino)-6-(trifluoromethyl)phenyl]ethenol?
The InChIKey is DPTXUIYMKJZJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-6(15)9-7(10(11,12)13)4-3-5-8(9)14-2/h3-5,14-15H,1H2,2H3.
What are the key properties of 1-[2-(methylamino)-6-(trifluoromethyl)phenyl]ethenol?
1-[2-(methylamino)-6-(trifluoromethyl)phenyl]ethenol has a molecular weight of 217.19 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)-6-(trifluoromethyl)phenyl]ethenol is sourced from PubChem (CID 143943277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).