[1-[(2-chloro-6-fluorophenyl)methyl]-3-methylindazol-6-yl] 2,2-difluoroacetate

C17H12ClF3N2O2 — CID 150451060

IUPAC[1-[(2-chloro-6-fluorophenyl)methyl]-3-methylindazol-6-yl] 2,2-difluoroacetate
SMILESCc1nn(Cc2c(F)cccc2Cl)c2cc(OC(=O)C(F)F)ccc12
InChIInChI=1S/C17H12ClF3N2O2/c1-9-11-6-5-10(25-17(24)16(20)21)7-15(11)23(22-9)8-12-13(18)3-2-4-14(12)19/h2-7,16H,8H2,1H3
InChIKeyHNURAFFTLJKGAF-UHFFFAOYSA-N
MW368.74 g/mol
LogP4.36
Rot. Bonds4

About [1-[(2-chloro-6-fluorophenyl)methyl]-3-methylindazol-6-yl] 2,2-difluoroacetate

[1-[(2-chloro-6-fluorophenyl)methyl]-3-methylindazol-6-yl] 2,2-difluoroacetate (PubChem CID 150451060) has the molecular formula C17H12ClF3N2O2 and a molecular weight of 368.74 g/mol. Its IUPAC name is [1-[(2-chloro-6-fluorophenyl)methyl]-3-methylindazol-6-yl] 2,2-difluoroacetate.

Molecular Properties

Compound Name[1-[(2-chloro-6-fluorophenyl)methyl]-3-methylindazol-6-yl] 2,2-difluoroacetate
PubChem CID150451060
Molecular FormulaC17H12ClF3N2O2
Molecular Weight368.74 g/mol
Exact Mass368.05
IUPAC Name[1-[(2-chloro-6-fluorophenyl)methyl]-3-methylindazol-6-yl] 2,2-difluoroacetate
SMILESCc1nn(Cc2c(F)cccc2Cl)c2cc(OC(=O)C(F)F)ccc12
InChIInChI=1S/C17H12ClF3N2O2/c1-9-11-6-5-10(25-17(24)16(20)21)7-15(11)23(22-9)8-12-13(18)3-2-4-14(12)19/h2-7,16H,8H2,1H3
InChIKeyHNURAFFTLJKGAF-UHFFFAOYSA-N
XLogP4.36
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.74
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-[(2-chloro-6-fluorophenyl)methyl]-3-methylindazol-6-yl] 2,2-difluoroacetate 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 [1-[(2-chloro-6-fluorophenyl)methyl]-3-methylindazol-6-yl] 2,2-difluoroacetate?
The IUPAC name of [1-[(2-chloro-6-fluorophenyl)methyl]-3-methylindazol-6-yl] 2,2-difluoroacetate (CID 150451060) is [1-[(2-chloro-6-fluorophenyl)methyl]-3-methylindazol-6-yl] 2,2-difluoroacetate.
What is the SMILES notation for [1-[(2-chloro-6-fluorophenyl)methyl]-3-methylindazol-6-yl] 2,2-difluoroacetate?
The canonical SMILES for [1-[(2-chloro-6-fluorophenyl)methyl]-3-methylindazol-6-yl] 2,2-difluoroacetate is Cc1nn(Cc2c(F)cccc2Cl)c2cc(OC(=O)C(F)F)ccc12.
What is the InChIKey of [1-[(2-chloro-6-fluorophenyl)methyl]-3-methylindazol-6-yl] 2,2-difluoroacetate?
The InChIKey is HNURAFFTLJKGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O2/c1-9-11-6-5-10(25-17(24)16(20)21)7-15(11)23(22-9)8-12-13(18)3-2-4-14(12)19/h2-7,16H,8H2,1H3.
What are the key properties of [1-[(2-chloro-6-fluorophenyl)methyl]-3-methylindazol-6-yl] 2,2-difluoroacetate?
[1-[(2-chloro-6-fluorophenyl)methyl]-3-methylindazol-6-yl] 2,2-difluoroacetate has a molecular weight of 368.74 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-6-fluorophenyl)methyl]-3-methylindazol-6-yl] 2,2-difluoroacetate is sourced from PubChem (CID 150451060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).