2-(4-chloro-2-fluorophenyl)-1,1-difluoro-3-(tetrazol-2-yl)propan-2-ol

C10H8ClF3N4O — CID 142718769

IUPAC2-(4-chloro-2-fluorophenyl)-1,1-difluoro-3-(tetrazol-2-yl)propan-2-ol
SMILESOC(Cn1ncnn1)(c1ccc(Cl)cc1F)C(F)F
InChIInChI=1S/C10H8ClF3N4O/c11-6-1-2-7(8(12)3-6)10(19,9(13)14)4-18-16-5-15-17-18/h1-3,5,9,19H,4H2
InChIKeyLZTXWGOTTFGAHM-UHFFFAOYSA-N
MW292.65 g/mol
LogP1.62
Rot. Bonds4

About 2-(4-chloro-2-fluorophenyl)-1,1-difluoro-3-(tetrazol-2-yl)propan-2-ol

2-(4-chloro-2-fluorophenyl)-1,1-difluoro-3-(tetrazol-2-yl)propan-2-ol (PubChem CID 142718769) has the molecular formula C10H8ClF3N4O and a molecular weight of 292.65 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1,1-difluoro-3-(tetrazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1,1-difluoro-3-(tetrazol-2-yl)propan-2-ol
PubChem CID142718769
Molecular FormulaC10H8ClF3N4O
Molecular Weight292.65 g/mol
Exact Mass292.03
IUPAC Name2-(4-chloro-2-fluorophenyl)-1,1-difluoro-3-(tetrazol-2-yl)propan-2-ol
SMILESOC(Cn1ncnn1)(c1ccc(Cl)cc1F)C(F)F
InChIInChI=1S/C10H8ClF3N4O/c11-6-1-2-7(8(12)3-6)10(19,9(13)14)4-18-16-5-15-17-18/h1-3,5,9,19H,4H2
InChIKeyLZTXWGOTTFGAHM-UHFFFAOYSA-N
XLogP1.62
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.65
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-2-fluorophenyl)-1,1-difluoro-3-(tetrazol-2-yl)propan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1,1-difluoro-3-(tetrazol-2-yl)propan-2-ol?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1,1-difluoro-3-(tetrazol-2-yl)propan-2-ol (CID 142718769) is 2-(4-chloro-2-fluorophenyl)-1,1-difluoro-3-(tetrazol-2-yl)propan-2-ol.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1,1-difluoro-3-(tetrazol-2-yl)propan-2-ol?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1,1-difluoro-3-(tetrazol-2-yl)propan-2-ol is OC(Cn1ncnn1)(c1ccc(Cl)cc1F)C(F)F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1,1-difluoro-3-(tetrazol-2-yl)propan-2-ol?
The InChIKey is LZTXWGOTTFGAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4O/c11-6-1-2-7(8(12)3-6)10(19,9(13)14)4-18-16-5-15-17-18/h1-3,5,9,19H,4H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1,1-difluoro-3-(tetrazol-2-yl)propan-2-ol?
2-(4-chloro-2-fluorophenyl)-1,1-difluoro-3-(tetrazol-2-yl)propan-2-ol has a molecular weight of 292.65 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1,1-difluoro-3-(tetrazol-2-yl)propan-2-ol is sourced from PubChem (CID 142718769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).