6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane

C14H16F3N — CID 69404406

IUPAC6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane
SMILESFC(F)(F)c1ccc(CCC2C3CNCC23)cc1
InChIInChI=1S/C14H16F3N/c15-14(16,17)10-4-1-9(2-5-10)3-6-11-12-7-18-8-13(11)12/h1-2,4-5,11-13,18H,3,6-8H2
InChIKeyKGWNYVUECFQHRV-UHFFFAOYSA-N
MW255.28 g/mol
LogP3.10
Rot. Bonds3

About 6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane

6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 69404406) has the molecular formula C14H16F3N and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane
PubChem CID69404406
Molecular FormulaC14H16F3N
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane
SMILESFC(F)(F)c1ccc(CCC2C3CNCC23)cc1
InChIInChI=1S/C14H16F3N/c15-14(16,17)10-4-1-9(2-5-10)3-6-11-12-7-18-8-13(11)12/h1-2,4-5,11-13,18H,3,6-8H2
InChIKeyKGWNYVUECFQHRV-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane (CID 69404406) is 6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane is FC(F)(F)c1ccc(CCC2C3CNCC23)cc1.
What is the InChIKey of 6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is KGWNYVUECFQHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N/c15-14(16,17)10-4-1-9(2-5-10)3-6-11-12-7-18-8-13(11)12/h1-2,4-5,11-13,18H,3,6-8H2.
What are the key properties of 6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane?
6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 255.28 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 69404406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).