trimethyl-[2-(trifluoromethyl)phenyl]azanium hydroxide

C10H14F3NO — CID 66776395

IUPACtrimethyl-[2-(trifluoromethyl)phenyl]azanium hydroxide
SMILESC[N+](C)(C)c1ccccc1C(F)(F)F.[OH-]
InChIInChI=1S/C10H13F3N.H2O/c1-14(2,3)9-7-5-4-6-8(9)10(11,12)13;/h4-7H,1-3H3;1H2/q+1;/p-1
InChIKeyMOWYLXVDMUWKTG-UHFFFAOYSA-M
MW221.22 g/mol
LogP2.73
Rot. Bonds1

About trimethyl-[2-(trifluoromethyl)phenyl]azanium hydroxide

trimethyl-[2-(trifluoromethyl)phenyl]azanium hydroxide (PubChem CID 66776395) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is trimethyl-[2-(trifluoromethyl)phenyl]azanium hydroxide.

Molecular Properties

Compound Nametrimethyl-[2-(trifluoromethyl)phenyl]azanium hydroxide
PubChem CID66776395
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Nametrimethyl-[2-(trifluoromethyl)phenyl]azanium hydroxide
SMILESC[N+](C)(C)c1ccccc1C(F)(F)F.[OH-]
InChIInChI=1S/C10H13F3N.H2O/c1-14(2,3)9-7-5-4-6-8(9)10(11,12)13;/h4-7H,1-3H3;1H2/q+1;/p-1
InChIKeyMOWYLXVDMUWKTG-UHFFFAOYSA-M
XLogP2.73
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(trifluoromethyl)phenyl]azanium hydroxide?
The IUPAC name of trimethyl-[2-(trifluoromethyl)phenyl]azanium hydroxide (CID 66776395) is trimethyl-[2-(trifluoromethyl)phenyl]azanium hydroxide.
What is the SMILES notation for trimethyl-[2-(trifluoromethyl)phenyl]azanium hydroxide?
The canonical SMILES for trimethyl-[2-(trifluoromethyl)phenyl]azanium hydroxide is C[N+](C)(C)c1ccccc1C(F)(F)F.[OH-].
What is the InChIKey of trimethyl-[2-(trifluoromethyl)phenyl]azanium hydroxide?
The InChIKey is MOWYLXVDMUWKTG-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13F3N.H2O/c1-14(2,3)9-7-5-4-6-8(9)10(11,12)13;/h4-7H,1-3H3;1H2/q+1;/p-1.
What are the key properties of trimethyl-[2-(trifluoromethyl)phenyl]azanium hydroxide?
trimethyl-[2-(trifluoromethyl)phenyl]azanium hydroxide has a molecular weight of 221.22 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(trifluoromethyl)phenyl]azanium hydroxide is sourced from PubChem (CID 66776395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).