[3-(dimethylcarbamoyl)-2-hydroxy-4-(trifluoromethyl)phenyl]azanium

C10H12F3N2O2+ — CID 163771620

IUPAC[3-(dimethylcarbamoyl)-2-hydroxy-4-(trifluoromethyl)phenyl]azanium
SMILESCN(C)C(=O)c1c(C(F)(F)F)ccc([NH3+])c1O
InChIInChI=1S/C10H11F3N2O2/c1-15(2)9(17)7-5(10(11,12)13)3-4-6(14)8(7)16/h3-4,16H,14H2,1-2H3/p+1
InChIKeyMGYJQVNCHBKCIC-UHFFFAOYSA-O
MW249.21 g/mol
LogP0.99
Rot. Bonds1

About [3-(dimethylcarbamoyl)-2-hydroxy-4-(trifluoromethyl)phenyl]azanium

[3-(dimethylcarbamoyl)-2-hydroxy-4-(trifluoromethyl)phenyl]azanium (PubChem CID 163771620) has the molecular formula C10H12F3N2O2+ and a molecular weight of 249.21 g/mol. Its IUPAC name is [3-(dimethylcarbamoyl)-2-hydroxy-4-(trifluoromethyl)phenyl]azanium.

Molecular Properties

Compound Name[3-(dimethylcarbamoyl)-2-hydroxy-4-(trifluoromethyl)phenyl]azanium
PubChem CID163771620
Molecular FormulaC10H12F3N2O2+
Molecular Weight249.21 g/mol
Exact Mass249.08
IUPAC Name[3-(dimethylcarbamoyl)-2-hydroxy-4-(trifluoromethyl)phenyl]azanium
SMILESCN(C)C(=O)c1c(C(F)(F)F)ccc([NH3+])c1O
InChIInChI=1S/C10H11F3N2O2/c1-15(2)9(17)7-5(10(11,12)13)3-4-6(14)8(7)16/h3-4,16H,14H2,1-2H3/p+1
InChIKeyMGYJQVNCHBKCIC-UHFFFAOYSA-O
XLogP0.99
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylcarbamoyl)-2-hydroxy-4-(trifluoromethyl)phenyl]azanium?
The IUPAC name of [3-(dimethylcarbamoyl)-2-hydroxy-4-(trifluoromethyl)phenyl]azanium (CID 163771620) is [3-(dimethylcarbamoyl)-2-hydroxy-4-(trifluoromethyl)phenyl]azanium.
What is the SMILES notation for [3-(dimethylcarbamoyl)-2-hydroxy-4-(trifluoromethyl)phenyl]azanium?
The canonical SMILES for [3-(dimethylcarbamoyl)-2-hydroxy-4-(trifluoromethyl)phenyl]azanium is CN(C)C(=O)c1c(C(F)(F)F)ccc([NH3+])c1O.
What is the InChIKey of [3-(dimethylcarbamoyl)-2-hydroxy-4-(trifluoromethyl)phenyl]azanium?
The InChIKey is MGYJQVNCHBKCIC-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H11F3N2O2/c1-15(2)9(17)7-5(10(11,12)13)3-4-6(14)8(7)16/h3-4,16H,14H2,1-2H3/p+1.
What are the key properties of [3-(dimethylcarbamoyl)-2-hydroxy-4-(trifluoromethyl)phenyl]azanium?
[3-(dimethylcarbamoyl)-2-hydroxy-4-(trifluoromethyl)phenyl]azanium has a molecular weight of 249.21 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylcarbamoyl)-2-hydroxy-4-(trifluoromethyl)phenyl]azanium is sourced from PubChem (CID 163771620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).