3-bromo-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

C7H6BrF3N2O — CID 154722047

IUPAC3-bromo-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESFC(F)(F)c1nn2c(c1Br)COCC2
InChIInChI=1S/C7H6BrF3N2O/c8-5-4-3-14-2-1-13(4)12-6(5)7(9,10)11/h1-3H2
InChIKeyLCKBNGULLVCHHV-UHFFFAOYSA-N
MW271.04 g/mol
LogP2.19
Rot. Bonds

About 3-bromo-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

3-bromo-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (PubChem CID 154722047) has the molecular formula C7H6BrF3N2O and a molecular weight of 271.04 g/mol. Its IUPAC name is 3-bromo-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name3-bromo-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
PubChem CID154722047
Molecular FormulaC7H6BrF3N2O
Molecular Weight271.04 g/mol
Exact Mass269.96
IUPAC Name3-bromo-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESFC(F)(F)c1nn2c(c1Br)COCC2
InChIInChI=1S/C7H6BrF3N2O/c8-5-4-3-14-2-1-13(4)12-6(5)7(9,10)11/h1-3H2
InChIKeyLCKBNGULLVCHHV-UHFFFAOYSA-N
XLogP2.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.04
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Bromo-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-4-ol
CID 154722910
1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
CID 71204337
1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
CID 90162028
1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
CID 118971784
4-[(4-Bromo-1,5-dimethylpyrazol-3-yl)methoxy]-3,3-difluorobutan-1-ol
CID 142591110
4-Bromo-3-(2,2-difluoropent-4-enoxymethyl)-1,5-dimethylpyrazole
CID 142591122
4-[(4-Bromo-1,5-dimethylpyrazol-3-yl)methoxy]-2,2-difluorobutan-1-ol
CID 142591278
2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 162760659
3-Bromo-2-isopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 154722048
4-Bromo-1,3-dimethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazole
CID 65860509
4-Bromo-1-ethyl-3-methyl-5-(2,2,2-trifluoroethoxymethyl)pyrazole
CID 65871974
4-Bromo-3-ethyl-1-methyl-5-(2,2,2-trifluoroethoxymethyl)pyrazole
CID 65877505

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of 3-bromo-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (CID 154722047) is 3-bromo-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 3-bromo-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 3-bromo-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is FC(F)(F)c1nn2c(c1Br)COCC2.
What is the InChIKey of 3-bromo-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The InChIKey is LCKBNGULLVCHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2O/c8-5-4-3-14-2-1-13(4)12-6(5)7(9,10)11/h1-3H2.
What are the key properties of 3-bromo-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
3-bromo-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine has a molecular weight of 271.04 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 154722047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).