2,2,2-trifluoro-N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)acetamide

C13H12F3N3O4 — CID 14673945

IUPAC2,2,2-trifluoro-N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)acetamide
SMILESCC1(C)Oc2cc3nonc3cc2C(NC(=O)C(F)(F)F)C1O
InChIInChI=1S/C13H12F3N3O4/c1-12(2)10(20)9(17-11(21)13(14,15)16)5-3-6-7(19-23-18-6)4-8(5)22-12/h3-4,9-10,20H,1-2H3,(H,17,21)
InChIKeyUZGXRKQMSULQHA-UHFFFAOYSA-N
MW331.25 g/mol
LogP1.47
Rot. Bonds1

About 2,2,2-trifluoro-N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)acetamide

2,2,2-trifluoro-N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)acetamide (PubChem CID 14673945) has the molecular formula C13H12F3N3O4 and a molecular weight of 331.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)acetamide
PubChem CID14673945
Molecular FormulaC13H12F3N3O4
Molecular Weight331.25 g/mol
Exact Mass331.08
IUPAC Name2,2,2-trifluoro-N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)acetamide
SMILESCC1(C)Oc2cc3nonc3cc2C(NC(=O)C(F)(F)F)C1O
InChIInChI=1S/C13H12F3N3O4/c1-12(2)10(20)9(17-11(21)13(14,15)16)5-3-6-7(19-23-18-6)4-8(5)22-12/h3-4,9-10,20H,1-2H3,(H,17,21)
InChIKeyUZGXRKQMSULQHA-UHFFFAOYSA-N
XLogP1.47
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,2,2-trifluoro-N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

Nip-121
CID 122027
1-[(7S,8R)-7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl]piperidin-2-one
CID 14673911
8-[(4-Fluorophenyl)methylamino]-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-7-ol
CID 67586487
1-(7-Hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)-5-(trifluoromethyl)pyridin-2-one
CID 67877479
(trans)-N-(7,8-Dihydro-7-hydroxy-6,6-dimethyl-6H-[1]benzopyrano[6,7-c][1,2,5]oxadiazol-8-yl)-N'-phenylurea
CID 9819971
4-Hydroxy-1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)piperidin-2-one
CID 9862447
1-(7-Hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)piperidin-2-one
CID 10881650
5-chloro-N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)pentanamide
CID 10948199
(+)-7,8-dihydro-6,6-dimethyl-7-hydroxy-8-amino-6H-pyrano[2,3-f]benz-2,1,3-oxadiazole
CID 11107308
1-(7-Hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)-3-methylurea
CID 14627698
1-(7-Hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)-3-phenylurea
CID 14627701
7,8-dihydro-6,6-dimethyl-7-hydroxy-8-trichloroacetylureido-6H-pyrano[2,3-f]benzo-2,1,3-oxadiazole
CID 14627703

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)acetamide (CID 14673945) is 2,2,2-trifluoro-N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)acetamide is CC1(C)Oc2cc3nonc3cc2C(NC(=O)C(F)(F)F)C1O.
What is the InChIKey of 2,2,2-trifluoro-N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)acetamide?
The InChIKey is UZGXRKQMSULQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O4/c1-12(2)10(20)9(17-11(21)13(14,15)16)5-3-6-7(19-23-18-6)4-8(5)22-12/h3-4,9-10,20H,1-2H3,(H,17,21).
What are the key properties of 2,2,2-trifluoro-N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)acetamide?
2,2,2-trifluoro-N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)acetamide has a molecular weight of 331.25 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)acetamide is sourced from PubChem (CID 14673945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).