N-(2,2-difluoroethyl)-6-methylbicyclo[2.2.1]heptan-2-amine

C10H17F2N — CID 144507231

IUPACN-(2,2-difluoroethyl)-6-methylbicyclo[2.2.1]heptan-2-amine
SMILESCC1CC2CC(NCC(F)F)C1C2
InChIInChI=1S/C10H17F2N/c1-6-2-7-3-8(6)9(4-7)13-5-10(11)12/h6-10,13H,2-5H2,1H3
InChIKeyGZMNJFXZIRMGMR-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.28
Rot. Bonds3

About N-(2,2-difluoroethyl)-6-methylbicyclo[2.2.1]heptan-2-amine

N-(2,2-difluoroethyl)-6-methylbicyclo[2.2.1]heptan-2-amine (PubChem CID 144507231) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-6-methylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-6-methylbicyclo[2.2.1]heptan-2-amine
PubChem CID144507231
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC NameN-(2,2-difluoroethyl)-6-methylbicyclo[2.2.1]heptan-2-amine
SMILESCC1CC2CC(NCC(F)F)C1C2
InChIInChI=1S/C10H17F2N/c1-6-2-7-3-8(6)9(4-7)13-5-10(11)12/h6-10,13H,2-5H2,1H3
InChIKeyGZMNJFXZIRMGMR-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-6-methylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-6-methylbicyclo[2.2.1]heptan-2-amine (CID 144507231) is N-(2,2-difluoroethyl)-6-methylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-6-methylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-6-methylbicyclo[2.2.1]heptan-2-amine is CC1CC2CC(NCC(F)F)C1C2.
What is the InChIKey of N-(2,2-difluoroethyl)-6-methylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is GZMNJFXZIRMGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-6-2-7-3-8(6)9(4-7)13-5-10(11)12/h6-10,13H,2-5H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-6-methylbicyclo[2.2.1]heptan-2-amine?
N-(2,2-difluoroethyl)-6-methylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 189.25 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-6-methylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 144507231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).