[2-(difluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine

C9H16F2N2 — CID 168881463

IUPAC[2-(difluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
SMILESNCC12CCCN1CC(C(F)F)C2
InChIInChI=1S/C9H16F2N2/c10-8(11)7-4-9(6-12)2-1-3-13(9)5-7/h7-8H,1-6,12H2
InChIKeyRPHXPLDUNAMFJM-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.06
Rot. Bonds2

About [2-(difluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine

[2-(difluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine (PubChem CID 168881463) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is [2-(difluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine.

Molecular Properties

Compound Name[2-(difluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
PubChem CID168881463
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name[2-(difluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
SMILESNCC12CCCN1CC(C(F)F)C2
InChIInChI=1S/C9H16F2N2/c10-8(11)7-4-9(6-12)2-1-3-13(9)5-7/h7-8H,1-6,12H2
InChIKeyRPHXPLDUNAMFJM-UHFFFAOYSA-N
XLogP1.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(difluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine?
The IUPAC name of [2-(difluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine (CID 168881463) is [2-(difluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine.
What is the SMILES notation for [2-(difluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine?
The canonical SMILES for [2-(difluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine is NCC12CCCN1CC(C(F)F)C2.
What is the InChIKey of [2-(difluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine?
The InChIKey is RPHXPLDUNAMFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c10-8(11)7-4-9(6-12)2-1-3-13(9)5-7/h7-8H,1-6,12H2.
What are the key properties of [2-(difluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine?
[2-(difluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine has a molecular weight of 190.24 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine is sourced from PubChem (CID 168881463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).