N-(2,2,2-trifluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine

C9H12F3N — CID 43223299

IUPACN-(2,2,2-trifluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESFC(F)(F)CNC1CC2CC=CC21
InChIInChI=1S/C9H12F3N/c10-9(11,12)5-13-8-4-6-2-1-3-7(6)8/h1,3,6-8,13H,2,4-5H2
InChIKeyAEDWFXLFKJKQFP-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.10
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine

N-(2,2,2-trifluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 43223299) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID43223299
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC NameN-(2,2,2-trifluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESFC(F)(F)CNC1CC2CC=CC21
InChIInChI=1S/C9H12F3N/c10-9(11,12)5-13-8-4-6-2-1-3-7(6)8/h1,3,6-8,13H,2,4-5H2
InChIKeyAEDWFXLFKJKQFP-UHFFFAOYSA-N
XLogP2.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 43223299) is N-(2,2,2-trifluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine is FC(F)(F)CNC1CC2CC=CC21.
What is the InChIKey of N-(2,2,2-trifluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is AEDWFXLFKJKQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N/c10-9(11,12)5-13-8-4-6-2-1-3-7(6)8/h1,3,6-8,13H,2,4-5H2.
What are the key properties of N-(2,2,2-trifluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(2,2,2-trifluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 191.20 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 43223299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).