6,6-difluoro-3-propyl-3-azabicyclo[3.1.0]hexane

C8H13F2N — CID 129226514

IUPAC6,6-difluoro-3-propyl-3-azabicyclo[3.1.0]hexane
SMILESCCCN1CC2C(C1)C2(F)F
InChIInChI=1S/C8H13F2N/c1-2-3-11-4-6-7(5-11)8(6,9)10/h6-7H,2-5H2,1H3
InChIKeyINYHLWILQMAMEO-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.59
Rot. Bonds2

About 6,6-difluoro-3-propyl-3-azabicyclo[3.1.0]hexane

6,6-difluoro-3-propyl-3-azabicyclo[3.1.0]hexane (PubChem CID 129226514) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 6,6-difluoro-3-propyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6,6-difluoro-3-propyl-3-azabicyclo[3.1.0]hexane
PubChem CID129226514
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name6,6-difluoro-3-propyl-3-azabicyclo[3.1.0]hexane
SMILESCCCN1CC2C(C1)C2(F)F
InChIInChI=1S/C8H13F2N/c1-2-3-11-4-6-7(5-11)8(6,9)10/h6-7H,2-5H2,1H3
InChIKeyINYHLWILQMAMEO-UHFFFAOYSA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-3-propyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6,6-difluoro-3-propyl-3-azabicyclo[3.1.0]hexane (CID 129226514) is 6,6-difluoro-3-propyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6,6-difluoro-3-propyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6,6-difluoro-3-propyl-3-azabicyclo[3.1.0]hexane is CCCN1CC2C(C1)C2(F)F.
What is the InChIKey of 6,6-difluoro-3-propyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is INYHLWILQMAMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-2-3-11-4-6-7(5-11)8(6,9)10/h6-7H,2-5H2,1H3.
What are the key properties of 6,6-difluoro-3-propyl-3-azabicyclo[3.1.0]hexane?
6,6-difluoro-3-propyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 161.19 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-3-propyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 129226514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).