[2-(1-methylcyclopropyl)-5-(trifluoromethyl)phenyl]oxidanium

C11H12F3O+ — CID 177136482

IUPAC[2-(1-methylcyclopropyl)-5-(trifluoromethyl)phenyl]oxidanium
SMILESCC1(c2ccc(C(F)(F)F)cc2[OH2+])CC1
InChIInChI=1S/C11H11F3O/c1-10(4-5-10)8-3-2-7(6-9(8)15)11(12,13)14/h2-3,6,15H,4-5H2,1H3/p+1
InChIKeyQGMUNBKLBYCSDG-UHFFFAOYSA-O
MW217.21 g/mol
LogP3.19
Rot. Bonds1

About [2-(1-methylcyclopropyl)-5-(trifluoromethyl)phenyl]oxidanium

[2-(1-methylcyclopropyl)-5-(trifluoromethyl)phenyl]oxidanium (PubChem CID 177136482) has the molecular formula C11H12F3O+ and a molecular weight of 217.21 g/mol. Its IUPAC name is [2-(1-methylcyclopropyl)-5-(trifluoromethyl)phenyl]oxidanium.

Molecular Properties

Compound Name[2-(1-methylcyclopropyl)-5-(trifluoromethyl)phenyl]oxidanium
PubChem CID177136482
Molecular FormulaC11H12F3O+
Molecular Weight217.21 g/mol
Exact Mass217.08
IUPAC Name[2-(1-methylcyclopropyl)-5-(trifluoromethyl)phenyl]oxidanium
SMILESCC1(c2ccc(C(F)(F)F)cc2[OH2+])CC1
InChIInChI=1S/C11H11F3O/c1-10(4-5-10)8-3-2-7(6-9(8)15)11(12,13)14/h2-3,6,15H,4-5H2,1H3/p+1
InChIKeyQGMUNBKLBYCSDG-UHFFFAOYSA-O
XLogP3.19
TPSA22.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [2-(1-methylcyclopropyl)-5-(trifluoromethyl)phenyl]oxidanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene
CID 66801661
2-(2-methylpyrrolidin-2-yl)-4-(trifluoromethyl)phenol
CID 117364454
3-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 102755976
4,4-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 102752194
1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 117337426
1-methyl-5-(trifluoromethyl)-2,3-dihydroindene-1-carboxylic acid
CID 115045193
9-ethyl-9-methyl-3,6-bis(trifluoromethyl)fluorene
CID 142535810
4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline
CID 105486439
1-[2-methoxy-4-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 84794185
4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-isoquinoline;hydrochloride
CID 71303219
2-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 102751617
3-[2-methyl-4-(trifluoromethyl)phenyl]oxan-3-amine
CID 102752185

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylcyclopropyl)-5-(trifluoromethyl)phenyl]oxidanium?
The IUPAC name of [2-(1-methylcyclopropyl)-5-(trifluoromethyl)phenyl]oxidanium (CID 177136482) is [2-(1-methylcyclopropyl)-5-(trifluoromethyl)phenyl]oxidanium.
What is the SMILES notation for [2-(1-methylcyclopropyl)-5-(trifluoromethyl)phenyl]oxidanium?
The canonical SMILES for [2-(1-methylcyclopropyl)-5-(trifluoromethyl)phenyl]oxidanium is CC1(c2ccc(C(F)(F)F)cc2[OH2+])CC1.
What is the InChIKey of [2-(1-methylcyclopropyl)-5-(trifluoromethyl)phenyl]oxidanium?
The InChIKey is QGMUNBKLBYCSDG-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H11F3O/c1-10(4-5-10)8-3-2-7(6-9(8)15)11(12,13)14/h2-3,6,15H,4-5H2,1H3/p+1.
What are the key properties of [2-(1-methylcyclopropyl)-5-(trifluoromethyl)phenyl]oxidanium?
[2-(1-methylcyclopropyl)-5-(trifluoromethyl)phenyl]oxidanium has a molecular weight of 217.21 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylcyclopropyl)-5-(trifluoromethyl)phenyl]oxidanium is sourced from PubChem (CID 177136482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).