N-[2-(trifluoromethoxy)ethyl]bicyclo[3.1.0]hexa-1,3,5-trien-2-amine

C9H8F3NO — CID 174763262

IUPACN-[2-(trifluoromethoxy)ethyl]bicyclo[3.1.0]hexa-1,3,5-trien-2-amine
SMILESFC(F)(F)OCCNc1ccc2cc1-2
InChIInChI=1S/C9H8F3NO/c10-9(11,12)14-4-3-13-8-2-1-6-5-7(6)8/h1-2,5,13H,3-4H2
InChIKeyFOKAQJRGNJQSHX-UHFFFAOYSA-N
MW203.16 g/mol
LogP2.62
Rot. Bonds4

About N-[2-(trifluoromethoxy)ethyl]bicyclo[3.1.0]hexa-1,3,5-trien-2-amine

N-[2-(trifluoromethoxy)ethyl]bicyclo[3.1.0]hexa-1,3,5-trien-2-amine (PubChem CID 174763262) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is N-[2-(trifluoromethoxy)ethyl]bicyclo[3.1.0]hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethoxy)ethyl]bicyclo[3.1.0]hexa-1,3,5-trien-2-amine
PubChem CID174763262
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC NameN-[2-(trifluoromethoxy)ethyl]bicyclo[3.1.0]hexa-1,3,5-trien-2-amine
SMILESFC(F)(F)OCCNc1ccc2cc1-2
InChIInChI=1S/C9H8F3NO/c10-9(11,12)14-4-3-13-8-2-1-6-5-7(6)8/h1-2,5,13H,3-4H2
InChIKeyFOKAQJRGNJQSHX-UHFFFAOYSA-N
XLogP2.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethoxy)ethyl]bicyclo[3.1.0]hexa-1,3,5-trien-2-amine?
The IUPAC name of N-[2-(trifluoromethoxy)ethyl]bicyclo[3.1.0]hexa-1,3,5-trien-2-amine (CID 174763262) is N-[2-(trifluoromethoxy)ethyl]bicyclo[3.1.0]hexa-1,3,5-trien-2-amine.
What is the SMILES notation for N-[2-(trifluoromethoxy)ethyl]bicyclo[3.1.0]hexa-1,3,5-trien-2-amine?
The canonical SMILES for N-[2-(trifluoromethoxy)ethyl]bicyclo[3.1.0]hexa-1,3,5-trien-2-amine is FC(F)(F)OCCNc1ccc2cc1-2.
What is the InChIKey of N-[2-(trifluoromethoxy)ethyl]bicyclo[3.1.0]hexa-1,3,5-trien-2-amine?
The InChIKey is FOKAQJRGNJQSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c10-9(11,12)14-4-3-13-8-2-1-6-5-7(6)8/h1-2,5,13H,3-4H2.
What are the key properties of N-[2-(trifluoromethoxy)ethyl]bicyclo[3.1.0]hexa-1,3,5-trien-2-amine?
N-[2-(trifluoromethoxy)ethyl]bicyclo[3.1.0]hexa-1,3,5-trien-2-amine has a molecular weight of 203.16 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethoxy)ethyl]bicyclo[3.1.0]hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 174763262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).