N-(2,2-difluoroethyl)-2,2,2-trifluoro-N-(7-fluoro-1-methylindazol-3-yl)acetamide

C12H9F6N3O — CID 144694101

IUPACN-(2,2-difluoroethyl)-2,2,2-trifluoro-N-(7-fluoro-1-methylindazol-3-yl)acetamide
SMILESCn1nc(N(CC(F)F)C(=O)C(F)(F)F)c2cccc(F)c21
InChIInChI=1S/C12H9F6N3O/c1-20-9-6(3-2-4-7(9)13)10(19-20)21(5-8(14)15)11(22)12(16,17)18/h2-4,8H,5H2,1H3
InChIKeyUKTMUHVJOZTHQW-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.87
Rot. Bonds3

About N-(2,2-difluoroethyl)-2,2,2-trifluoro-N-(7-fluoro-1-methylindazol-3-yl)acetamide

N-(2,2-difluoroethyl)-2,2,2-trifluoro-N-(7-fluoro-1-methylindazol-3-yl)acetamide (PubChem CID 144694101) has the molecular formula C12H9F6N3O and a molecular weight of 325.21 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2,2,2-trifluoro-N-(7-fluoro-1-methylindazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2,2,2-trifluoro-N-(7-fluoro-1-methylindazol-3-yl)acetamide
PubChem CID144694101
Molecular FormulaC12H9F6N3O
Molecular Weight325.21 g/mol
Exact Mass325.06
IUPAC NameN-(2,2-difluoroethyl)-2,2,2-trifluoro-N-(7-fluoro-1-methylindazol-3-yl)acetamide
SMILESCn1nc(N(CC(F)F)C(=O)C(F)(F)F)c2cccc(F)c21
InChIInChI=1S/C12H9F6N3O/c1-20-9-6(3-2-4-7(9)13)10(19-20)21(5-8(14)15)11(22)12(16,17)18/h2-4,8H,5H2,1H3
InChIKeyUKTMUHVJOZTHQW-UHFFFAOYSA-N
XLogP2.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2,2,2-trifluoro-N-(7-fluoro-1-methylindazol-3-yl)acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2,2,2-trifluoro-N-(7-fluoro-1-methylindazol-3-yl)acetamide (CID 144694101) is N-(2,2-difluoroethyl)-2,2,2-trifluoro-N-(7-fluoro-1-methylindazol-3-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2,2,2-trifluoro-N-(7-fluoro-1-methylindazol-3-yl)acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2,2,2-trifluoro-N-(7-fluoro-1-methylindazol-3-yl)acetamide is Cn1nc(N(CC(F)F)C(=O)C(F)(F)F)c2cccc(F)c21.
What is the InChIKey of N-(2,2-difluoroethyl)-2,2,2-trifluoro-N-(7-fluoro-1-methylindazol-3-yl)acetamide?
The InChIKey is UKTMUHVJOZTHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F6N3O/c1-20-9-6(3-2-4-7(9)13)10(19-20)21(5-8(14)15)11(22)12(16,17)18/h2-4,8H,5H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-2,2,2-trifluoro-N-(7-fluoro-1-methylindazol-3-yl)acetamide?
N-(2,2-difluoroethyl)-2,2,2-trifluoro-N-(7-fluoro-1-methylindazol-3-yl)acetamide has a molecular weight of 325.21 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2,2,2-trifluoro-N-(7-fluoro-1-methylindazol-3-yl)acetamide is sourced from PubChem (CID 144694101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).