2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetic acid

C10H10F4N2O2 — CID 134443924

IUPAC2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C(F)F)c2c1C(F)(F)CCC2
InChIInChI=1S/C10H10F4N2O2/c11-9(12)7-5-2-1-3-10(13,14)8(5)16(15-7)4-6(17)18/h9H,1-4H2,(H,17,18)
InChIKeyDDOSRBMABDKICO-UHFFFAOYSA-N
MW266.19 g/mol
LogP2.33
Rot. Bonds3

About 2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetic acid

2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetic acid (PubChem CID 134443924) has the molecular formula C10H10F4N2O2 and a molecular weight of 266.19 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetic acid
PubChem CID134443924
Molecular FormulaC10H10F4N2O2
Molecular Weight266.19 g/mol
Exact Mass266.07
IUPAC Name2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C(F)F)c2c1C(F)(F)CCC2
InChIInChI=1S/C10H10F4N2O2/c11-9(12)7-5-2-1-3-10(13,14)8(5)16(15-7)4-6(17)18/h9H,1-4H2,(H,17,18)
InChIKeyDDOSRBMABDKICO-UHFFFAOYSA-N
XLogP2.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-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-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetic acid (CID 134443924) is 2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetic acid is O=C(O)Cn1nc(C(F)F)c2c1C(F)(F)CCC2.
What is the InChIKey of 2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetic acid?
The InChIKey is DDOSRBMABDKICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O2/c11-9(12)7-5-2-1-3-10(13,14)8(5)16(15-7)4-6(17)18/h9H,1-4H2,(H,17,18).
What are the key properties of 2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetic acid?
2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetic acid has a molecular weight of 266.19 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]acetic acid is sourced from PubChem (CID 134443924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).