2-(difluoromethyl)-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-c]azepine

C8H10F2N2O — CID 130943811

IUPAC2-(difluoromethyl)-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-c]azepine
SMILESFC(F)c1nc2c(o1)CCCNC2
InChIInChI=1S/C8H10F2N2O/c9-7(10)8-12-5-4-11-3-1-2-6(5)13-8/h7,11H,1-4H2
InChIKeyKMYFFPLSDXQFHW-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.65
Rot. Bonds1

About 2-(difluoromethyl)-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-c]azepine

2-(difluoromethyl)-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-c]azepine (PubChem CID 130943811) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-(difluoromethyl)-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-c]azepine.

Molecular Properties

Compound Name2-(difluoromethyl)-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-c]azepine
PubChem CID130943811
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2-(difluoromethyl)-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-c]azepine
SMILESFC(F)c1nc2c(o1)CCCNC2
InChIInChI=1S/C8H10F2N2O/c9-7(10)8-12-5-4-11-3-1-2-6(5)13-8/h7,11H,1-4H2
InChIKeyKMYFFPLSDXQFHW-UHFFFAOYSA-N
XLogP1.65
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-c]azepine?
The IUPAC name of 2-(difluoromethyl)-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-c]azepine (CID 130943811) is 2-(difluoromethyl)-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-c]azepine.
What is the SMILES notation for 2-(difluoromethyl)-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-c]azepine?
The canonical SMILES for 2-(difluoromethyl)-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-c]azepine is FC(F)c1nc2c(o1)CCCNC2.
What is the InChIKey of 2-(difluoromethyl)-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-c]azepine?
The InChIKey is KMYFFPLSDXQFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c9-7(10)8-12-5-4-11-3-1-2-6(5)13-8/h7,11H,1-4H2.
What are the key properties of 2-(difluoromethyl)-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-c]azepine?
2-(difluoromethyl)-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-c]azepine has a molecular weight of 188.18 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-c]azepine is sourced from PubChem (CID 130943811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).