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

C10H9F5N2O2 — CID 118357800

IUPAC2-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C(F)(F)F)c2c1CCCC2(F)F
InChIInChI=1S/C10H9F5N2O2/c11-9(12)3-1-2-5-7(9)8(10(13,14)15)16-17(5)4-6(18)19/h1-4H2,(H,18,19)
InChIKeyMYUFEOFTXOKIOR-UHFFFAOYSA-N
MW284.18 g/mol
LogP2.41
Rot. Bonds2

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

2-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid (PubChem CID 118357800) has the molecular formula C10H9F5N2O2 and a molecular weight of 284.18 g/mol. Its IUPAC name is 2-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid
PubChem CID118357800
Molecular FormulaC10H9F5N2O2
Molecular Weight284.18 g/mol
Exact Mass284.06
IUPAC Name2-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C(F)(F)F)c2c1CCCC2(F)F
InChIInChI=1S/C10H9F5N2O2/c11-9(12)3-1-2-5-7(9)8(10(13,14)15)16-17(5)4-6(18)19/h1-4H2,(H,18,19)
InChIKeyMYUFEOFTXOKIOR-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid?
The IUPAC name of 2-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid (CID 118357800) is 2-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid?
The canonical SMILES for 2-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid is O=C(O)Cn1nc(C(F)(F)F)c2c1CCCC2(F)F.
What is the InChIKey of 2-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid?
The InChIKey is MYUFEOFTXOKIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5N2O2/c11-9(12)3-1-2-5-7(9)8(10(13,14)15)16-17(5)4-6(18)19/h1-4H2,(H,18,19).
What are the key properties of 2-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid?
2-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid has a molecular weight of 284.18 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetic acid is sourced from PubChem (CID 118357800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).