7,7-difluoro-5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane

C8H13F2NO — CID 176597037

IUPAC7,7-difluoro-5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane
SMILESCC(C)N1CCOC2C1C2(F)F
InChIInChI=1S/C8H13F2NO/c1-5(2)11-3-4-12-7-6(11)8(7,9)10/h5-7H,3-4H2,1-2H3
InChIKeyCYJXWLRANLIZPL-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.11
Rot. Bonds1

About 7,7-difluoro-5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane

7,7-difluoro-5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane (PubChem CID 176597037) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 7,7-difluoro-5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7,7-difluoro-5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane
PubChem CID176597037
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name7,7-difluoro-5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane
SMILESCC(C)N1CCOC2C1C2(F)F
InChIInChI=1S/C8H13F2NO/c1-5(2)11-3-4-12-7-6(11)8(7,9)10/h5-7H,3-4H2,1-2H3
InChIKeyCYJXWLRANLIZPL-UHFFFAOYSA-N
XLogP1.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane?
The IUPAC name of 7,7-difluoro-5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane (CID 176597037) is 7,7-difluoro-5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 7,7-difluoro-5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane?
The canonical SMILES for 7,7-difluoro-5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane is CC(C)N1CCOC2C1C2(F)F.
What is the InChIKey of 7,7-difluoro-5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane?
The InChIKey is CYJXWLRANLIZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-5(2)11-3-4-12-7-6(11)8(7,9)10/h5-7H,3-4H2,1-2H3.
What are the key properties of 7,7-difluoro-5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane?
7,7-difluoro-5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane has a molecular weight of 177.19 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 176597037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).