1-[5-(trifluoromethyl)thiophen-2-yl]-3-azabicyclo[3.1.0]hexane

C10H10F3NS — CID 44561251

IUPAC1-[5-(trifluoromethyl)thiophen-2-yl]-3-azabicyclo[3.1.0]hexane
SMILESFC(F)(F)c1ccc(C23CNCC2C3)s1
InChIInChI=1S/C10H10F3NS/c11-10(12,13)8-2-1-7(15-8)9-3-6(9)4-14-5-9/h1-2,6,14H,3-5H2
InChIKeyCRMGHEJTXVVOGH-UHFFFAOYSA-N
MW233.26 g/mol
LogP2.63
Rot. Bonds1

About 1-[5-(trifluoromethyl)thiophen-2-yl]-3-azabicyclo[3.1.0]hexane

1-[5-(trifluoromethyl)thiophen-2-yl]-3-azabicyclo[3.1.0]hexane (PubChem CID 44561251) has the molecular formula C10H10F3NS and a molecular weight of 233.26 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)thiophen-2-yl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)thiophen-2-yl]-3-azabicyclo[3.1.0]hexane
PubChem CID44561251
Molecular FormulaC10H10F3NS
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name1-[5-(trifluoromethyl)thiophen-2-yl]-3-azabicyclo[3.1.0]hexane
SMILESFC(F)(F)c1ccc(C23CNCC2C3)s1
InChIInChI=1S/C10H10F3NS/c11-10(12,13)8-2-1-7(15-8)9-3-6(9)4-14-5-9/h1-2,6,14H,3-5H2
InChIKeyCRMGHEJTXVVOGH-UHFFFAOYSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)thiophen-2-yl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-[5-(trifluoromethyl)thiophen-2-yl]-3-azabicyclo[3.1.0]hexane (CID 44561251) is 1-[5-(trifluoromethyl)thiophen-2-yl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-[5-(trifluoromethyl)thiophen-2-yl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-[5-(trifluoromethyl)thiophen-2-yl]-3-azabicyclo[3.1.0]hexane is FC(F)(F)c1ccc(C23CNCC2C3)s1.
What is the InChIKey of 1-[5-(trifluoromethyl)thiophen-2-yl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is CRMGHEJTXVVOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NS/c11-10(12,13)8-2-1-7(15-8)9-3-6(9)4-14-5-9/h1-2,6,14H,3-5H2.
What are the key properties of 1-[5-(trifluoromethyl)thiophen-2-yl]-3-azabicyclo[3.1.0]hexane?
1-[5-(trifluoromethyl)thiophen-2-yl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 233.26 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)thiophen-2-yl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 44561251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).