2-[3-(trifluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazol-4-yl]acetic acid

C11H11F3N2O2 — CID 71184893

IUPAC2-[3-(trifluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazol-4-yl]acetic acid
SMILESO=C(O)CC1CC2CC2c2[nH]nc(C(F)(F)F)c21
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)10-8-5(3-7(17)18)1-4-2-6(4)9(8)15-16-10/h4-6H,1-3H2,(H,15,16)(H,17,18)
InChIKeyHOLGJXKHEBLOAA-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.49
Rot. Bonds2

About 2-[3-(trifluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazol-4-yl]acetic acid

2-[3-(trifluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazol-4-yl]acetic acid (PubChem CID 71184893) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazol-4-yl]acetic acid
PubChem CID71184893
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name2-[3-(trifluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazol-4-yl]acetic acid
SMILESO=C(O)CC1CC2CC2c2[nH]nc(C(F)(F)F)c21
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)10-8-5(3-7(17)18)1-4-2-6(4)9(8)15-16-10/h4-6H,1-3H2,(H,15,16)(H,17,18)
InChIKeyHOLGJXKHEBLOAA-UHFFFAOYSA-N
XLogP2.49
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazol-4-yl]acetic acid?
The IUPAC name of 2-[3-(trifluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazol-4-yl]acetic acid (CID 71184893) is 2-[3-(trifluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3-(trifluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazol-4-yl]acetic acid?
The canonical SMILES for 2-[3-(trifluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazol-4-yl]acetic acid is O=C(O)CC1CC2CC2c2[nH]nc(C(F)(F)F)c21.
What is the InChIKey of 2-[3-(trifluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazol-4-yl]acetic acid?
The InChIKey is HOLGJXKHEBLOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)10-8-5(3-7(17)18)1-4-2-6(4)9(8)15-16-10/h4-6H,1-3H2,(H,15,16)(H,17,18).
What are the key properties of 2-[3-(trifluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazol-4-yl]acetic acid?
2-[3-(trifluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazol-4-yl]acetic acid has a molecular weight of 260.21 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazol-4-yl]acetic acid is sourced from PubChem (CID 71184893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).