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

C15H22F3NO — CID 43791727

IUPACN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESFC(F)(F)COC1CCCC(NC2CC3CC=CC32)C1
InChIInChI=1S/C15H22F3NO/c16-15(17,18)9-20-12-5-2-4-11(8-12)19-14-7-10-3-1-6-13(10)14/h1,6,10-14,19H,2-5,7-9H2
InChIKeyIIQFCWDTLSJFBB-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.43
Rot. Bonds4

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

N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 43791727) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID43791727
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC NameN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESFC(F)(F)COC1CCCC(NC2CC3CC=CC32)C1
InChIInChI=1S/C15H22F3NO/c16-15(17,18)9-20-12-5-2-4-11(8-12)19-14-7-10-3-1-6-13(10)14/h1,6,10-14,19H,2-5,7-9H2
InChIKeyIIQFCWDTLSJFBB-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[3-(2,2,2-trifluoroethoxy)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine (CID 43791727) is N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine is FC(F)(F)COC1CCCC(NC2CC3CC=CC32)C1.
What is the InChIKey of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is IIQFCWDTLSJFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c16-15(17,18)9-20-12-5-2-4-11(8-12)19-14-7-10-3-1-6-13(10)14/h1,6,10-14,19H,2-5,7-9H2.
What are the key properties of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine?
N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 289.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 43791727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).