2-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]acetic acid

C10H7F7N2O2 — CID 162530386

IUPAC2-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C(F)(F)F)c2c1C(F)(F)CCC2(F)F
InChIInChI=1S/C10H7F7N2O2/c11-8(12)1-2-9(13,14)7-5(8)6(10(15,16)17)18-19(7)3-4(20)21/h1-3H2,(H,20,21)
InChIKeyHSWKYZRMYHCLJA-UHFFFAOYSA-N
MW320.16 g/mol
LogP2.96
Rot. Bonds2

About 2-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]acetic acid

2-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]acetic acid (PubChem CID 162530386) has the molecular formula C10H7F7N2O2 and a molecular weight of 320.16 g/mol. Its IUPAC name is 2-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]acetic acid
PubChem CID162530386
Molecular FormulaC10H7F7N2O2
Molecular Weight320.16 g/mol
Exact Mass320.04
IUPAC Name2-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C(F)(F)F)c2c1C(F)(F)CCC2(F)F
InChIInChI=1S/C10H7F7N2O2/c11-8(12)1-2-9(13,14)7-5(8)6(10(15,16)17)18-19(7)3-4(20)21/h1-3H2,(H,20,21)
InChIKeyHSWKYZRMYHCLJA-UHFFFAOYSA-N
XLogP2.96
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]acetic acid?
The IUPAC name of 2-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]acetic acid (CID 162530386) is 2-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]acetic acid?
The canonical SMILES for 2-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]acetic acid is O=C(O)Cn1nc(C(F)(F)F)c2c1C(F)(F)CCC2(F)F.
What is the InChIKey of 2-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]acetic acid?
The InChIKey is HSWKYZRMYHCLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F7N2O2/c11-8(12)1-2-9(13,14)7-5(8)6(10(15,16)17)18-19(7)3-4(20)21/h1-3H2,(H,20,21).
What are the key properties of 2-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]acetic acid?
2-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]acetic acid has a molecular weight of 320.16 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]acetic acid is sourced from PubChem (CID 162530386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).