N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,3,3-trifluoropropanamide

C8H11F3N2O — CID 43594339

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NC1C2CNCC21
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)1-6(14)13-7-4-2-12-3-5(4)7/h4-5,7,12H,1-3H2,(H,13,14)
InChIKeySRBYCSXICNUSNZ-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.27
Rot. Bonds2

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,3,3-trifluoropropanamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,3,3-trifluoropropanamide (PubChem CID 43594339) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-3,3,3-trifluoropropanamide
PubChem CID43594339
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NC1C2CNCC21
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)1-6(14)13-7-4-2-12-3-5(4)7/h4-5,7,12H,1-3H2,(H,13,14)
InChIKeySRBYCSXICNUSNZ-UHFFFAOYSA-N
XLogP0.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,3,3-trifluoropropanamide (CID 43594339) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)NC1C2CNCC21.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,3,3-trifluoropropanamide?
The InChIKey is SRBYCSXICNUSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c9-8(10,11)1-6(14)13-7-4-2-12-3-5(4)7/h4-5,7,12H,1-3H2,(H,13,14).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,3,3-trifluoropropanamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,3,3-trifluoropropanamide has a molecular weight of 208.18 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 43594339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).