N-[4-(2,2,2-trifluoroethoxy)phenyl]bicyclo[3.2.0]hept-3-en-6-amine

C15H16F3NO — CID 43781718

IUPACN-[4-(2,2,2-trifluoroethoxy)phenyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESFC(F)(F)COc1ccc(NC2CC3CC=CC32)cc1
InChIInChI=1S/C15H16F3NO/c16-15(17,18)9-20-12-6-4-11(5-7-12)19-14-8-10-2-1-3-13(10)14/h1,3-7,10,13-14,19H,2,8-9H2
InChIKeyJZCCLDIGEORGJD-UHFFFAOYSA-N
MW283.29 g/mol
LogP4.00
Rot. Bonds4

About N-[4-(2,2,2-trifluoroethoxy)phenyl]bicyclo[3.2.0]hept-3-en-6-amine

N-[4-(2,2,2-trifluoroethoxy)phenyl]bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 43781718) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[4-(2,2,2-trifluoroethoxy)phenyl]bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-[4-(2,2,2-trifluoroethoxy)phenyl]bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID43781718
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC NameN-[4-(2,2,2-trifluoroethoxy)phenyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESFC(F)(F)COc1ccc(NC2CC3CC=CC32)cc1
InChIInChI=1S/C15H16F3NO/c16-15(17,18)9-20-12-6-4-11(5-7-12)19-14-8-10-2-1-3-13(10)14/h1,3-7,10,13-14,19H,2,8-9H2
InChIKeyJZCCLDIGEORGJD-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2,2-trifluoroethoxy)phenyl]bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-[4-(2,2,2-trifluoroethoxy)phenyl]bicyclo[3.2.0]hept-3-en-6-amine (CID 43781718) is N-[4-(2,2,2-trifluoroethoxy)phenyl]bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-[4-(2,2,2-trifluoroethoxy)phenyl]bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-[4-(2,2,2-trifluoroethoxy)phenyl]bicyclo[3.2.0]hept-3-en-6-amine is FC(F)(F)COc1ccc(NC2CC3CC=CC32)cc1.
What is the InChIKey of N-[4-(2,2,2-trifluoroethoxy)phenyl]bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is JZCCLDIGEORGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c16-15(17,18)9-20-12-6-4-11(5-7-12)19-14-8-10-2-1-3-13(10)14/h1,3-7,10,13-14,19H,2,8-9H2.
What are the key properties of N-[4-(2,2,2-trifluoroethoxy)phenyl]bicyclo[3.2.0]hept-3-en-6-amine?
N-[4-(2,2,2-trifluoroethoxy)phenyl]bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 283.29 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2,2-trifluoroethoxy)phenyl]bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 43781718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).