3-propan-2-yl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane

C9H14F3N — CID 167340260

IUPAC3-propan-2-yl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
SMILESCC(C)N1CC2CC2(C(F)(F)F)C1
InChIInChI=1S/C9H14F3N/c1-6(2)13-4-7-3-8(7,5-13)9(10,11)12/h6-7H,3-5H2,1-2H3
InChIKeyAKDBQLYJPDQRSU-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.28
Rot. Bonds1

About 3-propan-2-yl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane

3-propan-2-yl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 167340260) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-propan-2-yl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-propan-2-yl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
PubChem CID167340260
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name3-propan-2-yl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
SMILESCC(C)N1CC2CC2(C(F)(F)F)C1
InChIInChI=1S/C9H14F3N/c1-6(2)13-4-7-3-8(7,5-13)9(10,11)12/h6-7H,3-5H2,1-2H3
InChIKeyAKDBQLYJPDQRSU-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-propan-2-yl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane (CID 167340260) is 3-propan-2-yl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-propan-2-yl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-propan-2-yl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane is CC(C)N1CC2CC2(C(F)(F)F)C1.
What is the InChIKey of 3-propan-2-yl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is AKDBQLYJPDQRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c1-6(2)13-4-7-3-8(7,5-13)9(10,11)12/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
3-propan-2-yl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 193.21 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 167340260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).