[3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoro-2-(1-phenylindazol-5-yl)propan-2-yl]oxidanium

C22H16ClF4N2O+ — CID 143372233

IUPAC[3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoro-2-(1-phenylindazol-5-yl)propan-2-yl]oxidanium
SMILES[OH2+]C(Cc1ccc(Cl)cc1F)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C22H15ClF4N2O/c23-17-8-6-14(19(24)11-17)12-21(30,22(25,26)27)16-7-9-20-15(10-16)13-28-29(20)18-4-2-1-3-5-18/h1-11,13,30H,12H2/p+1
InChIKeyIDDUWXUSBVINAR-UHFFFAOYSA-O
MW435.83 g/mol
LogP5.54
Rot. Bonds4

About [3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoro-2-(1-phenylindazol-5-yl)propan-2-yl]oxidanium

[3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoro-2-(1-phenylindazol-5-yl)propan-2-yl]oxidanium (PubChem CID 143372233) has the molecular formula C22H16ClF4N2O+ and a molecular weight of 435.83 g/mol. Its IUPAC name is [3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoro-2-(1-phenylindazol-5-yl)propan-2-yl]oxidanium.

Molecular Properties

Compound Name[3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoro-2-(1-phenylindazol-5-yl)propan-2-yl]oxidanium
PubChem CID143372233
Molecular FormulaC22H16ClF4N2O+
Molecular Weight435.83 g/mol
Exact Mass435.09
IUPAC Name[3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoro-2-(1-phenylindazol-5-yl)propan-2-yl]oxidanium
SMILES[OH2+]C(Cc1ccc(Cl)cc1F)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C22H15ClF4N2O/c23-17-8-6-14(19(24)11-17)12-21(30,22(25,26)27)16-7-9-20-15(10-16)13-28-29(20)18-4-2-1-3-5-18/h1-11,13,30H,12H2/p+1
InChIKeyIDDUWXUSBVINAR-UHFFFAOYSA-O
XLogP5.54
TPSA40.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.83
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoro-2-(1-phenylindazol-5-yl)propan-2-yl]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

1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol
CID 15980364
2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
CID 15980495
2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
CID 15980493
1-phenylindazol-5-amine
CID 83414114
1-[4-(trifluoromethyl)phenyl]indazol-5-amine
CID 83414547
1-amino-1-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-2-ol
CID 150429566
1-[2-benzyl-3-chloro-2-(chloromethyl)propyl]-4-chloro-2-fluorobenzene
CID 114862213
2,2,2-trifluoro-1-[4-(methylamino)naphthalen-1-yl]-1-(1-phenylindazol-5-yl)ethanol
CID 15979157
1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol
CID 15980497
1-fluoro-3-(4-methoxyphenyl)sulfanyl-2-(1-phenylindazol-5-yl)propan-2-ol
CID 151959863
cyclobutane;1-(3-methylphenyl)-2-(1-phenylindazol-5-yl)propan-2-ol
CID 143372409
3-[1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-yl]benzene-1,2-diamine
CID 91060802

Frequently Asked Questions

What is the IUPAC name of [3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoro-2-(1-phenylindazol-5-yl)propan-2-yl]oxidanium?
The IUPAC name of [3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoro-2-(1-phenylindazol-5-yl)propan-2-yl]oxidanium (CID 143372233) is [3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoro-2-(1-phenylindazol-5-yl)propan-2-yl]oxidanium.
What is the SMILES notation for [3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoro-2-(1-phenylindazol-5-yl)propan-2-yl]oxidanium?
The canonical SMILES for [3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoro-2-(1-phenylindazol-5-yl)propan-2-yl]oxidanium is [OH2+]C(Cc1ccc(Cl)cc1F)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of [3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoro-2-(1-phenylindazol-5-yl)propan-2-yl]oxidanium?
The InChIKey is IDDUWXUSBVINAR-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H15ClF4N2O/c23-17-8-6-14(19(24)11-17)12-21(30,22(25,26)27)16-7-9-20-15(10-16)13-28-29(20)18-4-2-1-3-5-18/h1-11,13,30H,12H2/p+1.
What are the key properties of [3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoro-2-(1-phenylindazol-5-yl)propan-2-yl]oxidanium?
[3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoro-2-(1-phenylindazol-5-yl)propan-2-yl]oxidanium has a molecular weight of 435.83 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoro-2-(1-phenylindazol-5-yl)propan-2-yl]oxidanium is sourced from PubChem (CID 143372233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).