6,6-difluoro-3-propan-2-yl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine

C9H12F2N2O — CID 168750902

IUPAC6,6-difluoro-3-propan-2-yl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
SMILESCC(C)c1cnn2c1OCC(F)(F)C2
InChIInChI=1S/C9H12F2N2O/c1-6(2)7-3-12-13-4-9(10,11)5-14-8(7)13/h3,6H,4-5H2,1-2H3
InChIKeyLLTMOHLBEQZNFA-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.03
Rot. Bonds1

About 6,6-difluoro-3-propan-2-yl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine

6,6-difluoro-3-propan-2-yl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine (PubChem CID 168750902) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 6,6-difluoro-3-propan-2-yl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name6,6-difluoro-3-propan-2-yl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
PubChem CID168750902
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name6,6-difluoro-3-propan-2-yl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
SMILESCC(C)c1cnn2c1OCC(F)(F)C2
InChIInChI=1S/C9H12F2N2O/c1-6(2)7-3-12-13-4-9(10,11)5-14-8(7)13/h3,6H,4-5H2,1-2H3
InChIKeyLLTMOHLBEQZNFA-UHFFFAOYSA-N
XLogP2.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,6-difluoro-3-propan-2-yl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-3-propan-2-yl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 6,6-difluoro-3-propan-2-yl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine (CID 168750902) is 6,6-difluoro-3-propan-2-yl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 6,6-difluoro-3-propan-2-yl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 6,6-difluoro-3-propan-2-yl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine is CC(C)c1cnn2c1OCC(F)(F)C2.
What is the InChIKey of 6,6-difluoro-3-propan-2-yl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
The InChIKey is LLTMOHLBEQZNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c1-6(2)7-3-12-13-4-9(10,11)5-14-8(7)13/h3,6H,4-5H2,1-2H3.
What are the key properties of 6,6-difluoro-3-propan-2-yl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
6,6-difluoro-3-propan-2-yl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine has a molecular weight of 202.20 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-3-propan-2-yl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 168750902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).