methyl 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate

C17H11F5N2O2 — CID 11682185

IUPACmethyl 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc(F)cc2F)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C17H11F5N2O2/c1-26-16(25)15-12-5-3-10(17(20,21)22)6-14(12)24(23-15)8-9-2-4-11(18)7-13(9)19/h2-7H,8H2,1H3
InChIKeyOHFRVROQERPMCR-UHFFFAOYSA-N
MW370.28 g/mol
LogP4.17
Rot. Bonds3

About methyl 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate

methyl 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate (PubChem CID 11682185) has the molecular formula C17H11F5N2O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is methyl 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate
PubChem CID11682185
Molecular FormulaC17H11F5N2O2
Molecular Weight370.28 g/mol
Exact Mass370.07
IUPAC Namemethyl 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc(F)cc2F)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C17H11F5N2O2/c1-26-16(25)15-12-5-3-10(17(20,21)22)6-14(12)24(23-15)8-9-2-4-11(18)7-13(9)19/h2-7H,8H2,1H3
InChIKeyOHFRVROQERPMCR-UHFFFAOYSA-N
XLogP4.17
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate?
The IUPAC name of methyl 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate (CID 11682185) is methyl 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate.
What is the SMILES notation for methyl 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate?
The canonical SMILES for methyl 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate is COC(=O)c1nn(Cc2ccc(F)cc2F)c2cc(C(F)(F)F)ccc12.
What is the InChIKey of methyl 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate?
The InChIKey is OHFRVROQERPMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N2O2/c1-26-16(25)15-12-5-3-10(17(20,21)22)6-14(12)24(23-15)8-9-2-4-11(18)7-13(9)19/h2-7H,8H2,1H3.
What are the key properties of methyl 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate?
methyl 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate has a molecular weight of 370.28 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate is sourced from PubChem (CID 11682185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).