N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2-difluoroethanamine

C11H19F2N — CID 60921759

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2-difluoroethanamine
SMILESCC(NCC(F)F)C1CC2CCC1C2
InChIInChI=1S/C11H19F2N/c1-7(14-6-11(12)13)10-5-8-2-3-9(10)4-8/h7-11,14H,2-6H2,1H3
InChIKeyGCIDSBXEPTWGNT-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.67
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2-difluoroethanamine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2-difluoroethanamine (PubChem CID 60921759) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2-difluoroethanamine
PubChem CID60921759
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2-difluoroethanamine
SMILESCC(NCC(F)F)C1CC2CCC1C2
InChIInChI=1S/C11H19F2N/c1-7(14-6-11(12)13)10-5-8-2-3-9(10)4-8/h7-11,14H,2-6H2,1H3
InChIKeyGCIDSBXEPTWGNT-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2-difluoroethanamine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2-difluoroethanamine (CID 60921759) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2-difluoroethanamine is CC(NCC(F)F)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2-difluoroethanamine?
The InChIKey is GCIDSBXEPTWGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-7(14-6-11(12)13)10-5-8-2-3-9(10)4-8/h7-11,14H,2-6H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2-difluoroethanamine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2-difluoroethanamine has a molecular weight of 203.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2-difluoroethanamine is sourced from PubChem (CID 60921759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).