2-[3-[chloro(difluoro)methyl]-4,5,6,7-tetrahydroindazol-2-yl]acetic acid

C10H11ClF2N2O2 — CID 71185358

IUPAC2-[3-[chloro(difluoro)methyl]-4,5,6,7-tetrahydroindazol-2-yl]acetic acid
SMILESO=C(O)Cn1nc2c(c1C(F)(F)Cl)CCCC2
InChIInChI=1S/C10H11ClF2N2O2/c11-10(12,13)9-6-3-1-2-4-7(6)14-15(9)5-8(16)17/h1-5H2,(H,16,17)
InChIKeyAFEGTLGQKBDWPF-UHFFFAOYSA-N
MW264.66 g/mol
LogP2.13
Rot. Bonds3

About 2-[3-[chloro(difluoro)methyl]-4,5,6,7-tetrahydroindazol-2-yl]acetic acid

2-[3-[chloro(difluoro)methyl]-4,5,6,7-tetrahydroindazol-2-yl]acetic acid (PubChem CID 71185358) has the molecular formula C10H11ClF2N2O2 and a molecular weight of 264.66 g/mol. Its IUPAC name is 2-[3-[chloro(difluoro)methyl]-4,5,6,7-tetrahydroindazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[chloro(difluoro)methyl]-4,5,6,7-tetrahydroindazol-2-yl]acetic acid
PubChem CID71185358
Molecular FormulaC10H11ClF2N2O2
Molecular Weight264.66 g/mol
Exact Mass264.05
IUPAC Name2-[3-[chloro(difluoro)methyl]-4,5,6,7-tetrahydroindazol-2-yl]acetic acid
SMILESO=C(O)Cn1nc2c(c1C(F)(F)Cl)CCCC2
InChIInChI=1S/C10H11ClF2N2O2/c11-10(12,13)9-6-3-1-2-4-7(6)14-15(9)5-8(16)17/h1-5H2,(H,16,17)
InChIKeyAFEGTLGQKBDWPF-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.66
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-[chloro(difluoro)methyl]-4,5,6,7-tetrahydroindazol-2-yl]acetic acid 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-[3-[chloro(difluoro)methyl]-4,5,6,7-tetrahydroindazol-2-yl]acetic acid?
The IUPAC name of 2-[3-[chloro(difluoro)methyl]-4,5,6,7-tetrahydroindazol-2-yl]acetic acid (CID 71185358) is 2-[3-[chloro(difluoro)methyl]-4,5,6,7-tetrahydroindazol-2-yl]acetic acid.
What is the SMILES notation for 2-[3-[chloro(difluoro)methyl]-4,5,6,7-tetrahydroindazol-2-yl]acetic acid?
The canonical SMILES for 2-[3-[chloro(difluoro)methyl]-4,5,6,7-tetrahydroindazol-2-yl]acetic acid is O=C(O)Cn1nc2c(c1C(F)(F)Cl)CCCC2.
What is the InChIKey of 2-[3-[chloro(difluoro)methyl]-4,5,6,7-tetrahydroindazol-2-yl]acetic acid?
The InChIKey is AFEGTLGQKBDWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2O2/c11-10(12,13)9-6-3-1-2-4-7(6)14-15(9)5-8(16)17/h1-5H2,(H,16,17).
What are the key properties of 2-[3-[chloro(difluoro)methyl]-4,5,6,7-tetrahydroindazol-2-yl]acetic acid?
2-[3-[chloro(difluoro)methyl]-4,5,6,7-tetrahydroindazol-2-yl]acetic acid has a molecular weight of 264.66 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[chloro(difluoro)methyl]-4,5,6,7-tetrahydroindazol-2-yl]acetic acid is sourced from PubChem (CID 71185358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).