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

C10H8F6N2O2 — CID 86719824

IUPAC2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F
InChIInChI=1S/C10H8F6N2O2/c11-8(12)6-5-7(18(17-6)3-4(19)20)10(15,16)2-1-9(5,13)14/h8H,1-3H2,(H,19,20)
InChIKeyNFQAZPXKJAZQGX-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.88
Rot. Bonds3

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

2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid (PubChem CID 86719824) has the molecular formula C10H8F6N2O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid
PubChem CID86719824
Molecular FormulaC10H8F6N2O2
Molecular Weight302.17 g/mol
Exact Mass302.05
IUPAC Name2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F
InChIInChI=1S/C10H8F6N2O2/c11-8(12)6-5-7(18(17-6)3-4(19)20)10(15,16)2-1-9(5,13)14/h8H,1-3H2,(H,19,20)
InChIKeyNFQAZPXKJAZQGX-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid (CID 86719824) is 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid is O=C(O)Cn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.
What is the InChIKey of 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid?
The InChIKey is NFQAZPXKJAZQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6N2O2/c11-8(12)6-5-7(18(17-6)3-4(19)20)10(15,16)2-1-9(5,13)14/h8H,1-3H2,(H,19,20).
What are the key properties of 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid?
2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid has a molecular weight of 302.17 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid is sourced from PubChem (CID 86719824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).