(5S)-N-(2,2-difluoroethyl)bicyclo[3.2.2]non-6-en-3-amine

C11H17F2N — CID 142584478

IUPAC(5S)-N-(2,2-difluoroethyl)bicyclo[3.2.2]non-6-en-3-amine
SMILESFC(F)CNC1CC2C=C[C@@H](CC2)C1
InChIInChI=1S/C11H17F2N/c12-11(13)7-14-10-5-8-1-2-9(6-10)4-3-8/h1-2,8-11,14H,3-7H2/t8-,9?,10?/m0/s1
InChIKeyKKUPSDIWXKOBNW-IDKOKCKLSA-N
MW201.26 g/mol
LogP2.59
Rot. Bonds3

About (5S)-N-(2,2-difluoroethyl)bicyclo[3.2.2]non-6-en-3-amine

(5S)-N-(2,2-difluoroethyl)bicyclo[3.2.2]non-6-en-3-amine (PubChem CID 142584478) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is (5S)-N-(2,2-difluoroethyl)bicyclo[3.2.2]non-6-en-3-amine.

Molecular Properties

Compound Name(5S)-N-(2,2-difluoroethyl)bicyclo[3.2.2]non-6-en-3-amine
PubChem CID142584478
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name(5S)-N-(2,2-difluoroethyl)bicyclo[3.2.2]non-6-en-3-amine
SMILESFC(F)CNC1CC2C=C[C@@H](CC2)C1
InChIInChI=1S/C11H17F2N/c12-11(13)7-14-10-5-8-1-2-9(6-10)4-3-8/h1-2,8-11,14H,3-7H2/t8-,9?,10?/m0/s1
InChIKeyKKUPSDIWXKOBNW-IDKOKCKLSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 52.59
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 (5S)-N-(2,2-difluoroethyl)bicyclo[3.2.2]non-6-en-3-amine?
The IUPAC name of (5S)-N-(2,2-difluoroethyl)bicyclo[3.2.2]non-6-en-3-amine (CID 142584478) is (5S)-N-(2,2-difluoroethyl)bicyclo[3.2.2]non-6-en-3-amine.
What is the SMILES notation for (5S)-N-(2,2-difluoroethyl)bicyclo[3.2.2]non-6-en-3-amine?
The canonical SMILES for (5S)-N-(2,2-difluoroethyl)bicyclo[3.2.2]non-6-en-3-amine is FC(F)CNC1CC2C=C[C@@H](CC2)C1.
What is the InChIKey of (5S)-N-(2,2-difluoroethyl)bicyclo[3.2.2]non-6-en-3-amine?
The InChIKey is KKUPSDIWXKOBNW-IDKOKCKLSA-N. The full InChI is InChI=1S/C11H17F2N/c12-11(13)7-14-10-5-8-1-2-9(6-10)4-3-8/h1-2,8-11,14H,3-7H2/t8-,9?,10?/m0/s1.
What are the key properties of (5S)-N-(2,2-difluoroethyl)bicyclo[3.2.2]non-6-en-3-amine?
(5S)-N-(2,2-difluoroethyl)bicyclo[3.2.2]non-6-en-3-amine has a molecular weight of 201.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(2,2-difluoroethyl)bicyclo[3.2.2]non-6-en-3-amine is sourced from PubChem (CID 142584478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).