methyl 2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylindazol-1-yl]acetate

C18H14F4N2O2 — CID 134611915

IUPACmethyl 2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylindazol-1-yl]acetate
SMILESCOC(=O)Cn1nc(-c2cc(C(F)(F)F)ccc2F)c2c(C)cccc21
InChIInChI=1S/C18H14F4N2O2/c1-10-4-3-5-14-16(10)17(23-24(14)9-15(25)26-2)12-8-11(18(20,21)22)6-7-13(12)19/h3-8H,9H2,1-2H3
InChIKeyYWWDTPMOLMGUII-UHFFFAOYSA-N
MW366.31 g/mol
LogP4.34
Rot. Bonds3

About methyl 2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylindazol-1-yl]acetate

methyl 2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylindazol-1-yl]acetate (PubChem CID 134611915) has the molecular formula C18H14F4N2O2 and a molecular weight of 366.31 g/mol. Its IUPAC name is methyl 2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylindazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylindazol-1-yl]acetate
PubChem CID134611915
Molecular FormulaC18H14F4N2O2
Molecular Weight366.31 g/mol
Exact Mass366.10
IUPAC Namemethyl 2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylindazol-1-yl]acetate
SMILESCOC(=O)Cn1nc(-c2cc(C(F)(F)F)ccc2F)c2c(C)cccc21
InChIInChI=1S/C18H14F4N2O2/c1-10-4-3-5-14-16(10)17(23-24(14)9-15(25)26-2)12-8-11(18(20,21)22)6-7-13(12)19/h3-8H,9H2,1-2H3
InChIKeyYWWDTPMOLMGUII-UHFFFAOYSA-N
XLogP4.34
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Inz-1
CID 3243873
Methyl 2-[3-(2,5-difluorophenyl)indazol-1-yl]acetate
CID 73506262
Methyl 2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]indazol-1-yl]acetate
CID 73507132
CID 73507351
CID 73507351
(3-methyl-1H-indazol-1-yl)acetic acid
CID 3237757
Methyl 2-(3-(3-fluorophenyl)-1H-indazol-1-yl)acetate
CID 49835858
Methyl 2-[3-(2-fluorophenyl)indazol-1-yl]acetate
CID 73505836
Methyl 2-[3-(2,6-difluorophenyl)indazol-1-yl]acetate
CID 73506475
Methyl 2-[3-(5-fluoro-2-methylphenyl)indazol-1-yl]acetate
CID 73506476
Methyl 2-[3-(2,3-difluorophenyl)indazol-1-yl]acetate
CID 73506477
Methyl 2-[3-[3-(trifluoromethyl)phenyl]indazol-1-yl]acetate
CID 73506914
Methyl 2-(1H-indazol-1-YL)acetate
CID 49835852

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylindazol-1-yl]acetate?
The IUPAC name of methyl 2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylindazol-1-yl]acetate (CID 134611915) is methyl 2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylindazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylindazol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylindazol-1-yl]acetate is COC(=O)Cn1nc(-c2cc(C(F)(F)F)ccc2F)c2c(C)cccc21.
What is the InChIKey of methyl 2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylindazol-1-yl]acetate?
The InChIKey is YWWDTPMOLMGUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O2/c1-10-4-3-5-14-16(10)17(23-24(14)9-15(25)26-2)12-8-11(18(20,21)22)6-7-13(12)19/h3-8H,9H2,1-2H3.
What are the key properties of methyl 2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylindazol-1-yl]acetate?
methyl 2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylindazol-1-yl]acetate has a molecular weight of 366.31 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylindazol-1-yl]acetate is sourced from PubChem (CID 134611915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).