N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2-difluoroethanamine

C10H18F2N2 — CID 102894679

IUPACN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2-difluoroethanamine
SMILESFC(F)CNCC1NCC2CCCC21
InChIInChI=1S/C10H18F2N2/c11-10(12)6-13-5-9-8-3-1-2-7(8)4-14-9/h7-10,13-14H,1-6H2
InChIKeyUCQGPWGQEGBDMK-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.23
Rot. Bonds4

About N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2-difluoroethanamine

N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2-difluoroethanamine (PubChem CID 102894679) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2-difluoroethanamine
PubChem CID102894679
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2-difluoroethanamine
SMILESFC(F)CNCC1NCC2CCCC21
InChIInChI=1S/C10H18F2N2/c11-10(12)6-13-5-9-8-3-1-2-7(8)4-14-9/h7-10,13-14H,1-6H2
InChIKeyUCQGPWGQEGBDMK-UHFFFAOYSA-N
XLogP1.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2-difluoroethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-(Trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
CID 54064885
cis-4,4-Difluorooctahydrocyclopenta[c]pyrrole
CID 55283149
cis-5,5-Difluorooctahydrocyclopenta[c]pyrrole
CID 55283150
(2S,3aS,6aS)-2-(trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
CID 67749590
4,4-Difluoro-octahydrocyclopenta[c]pyrrole
CID 71756392
5,5-Difluorooctahydrocyclopenta[c]pyrrole
CID 76223433
5-(Difluoromethyl)-octahydrocyclopenta[c]pyrrole
CID 84716781
(3aS,6aR)-6,6-difluoro-1,2,3,4,5,6a-hexahydrocyclopenta[c]pyrrol-3a-amine
CID 89257459
3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 138719512
3a-fluoro-N-(3-methylbutan-2-yl)-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
CID 139315725
(3aR)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 143016320
5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;methane
CID 160623401

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2-difluoroethanamine?
The IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2-difluoroethanamine (CID 102894679) is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2-difluoroethanamine.
What is the SMILES notation for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2-difluoroethanamine?
The canonical SMILES for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2-difluoroethanamine is FC(F)CNCC1NCC2CCCC21.
What is the InChIKey of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2-difluoroethanamine?
The InChIKey is UCQGPWGQEGBDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2/c11-10(12)6-13-5-9-8-3-1-2-7(8)4-14-9/h7-10,13-14H,1-6H2.
What are the key properties of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2-difluoroethanamine?
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2-difluoroethanamine has a molecular weight of 204.26 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2-difluoroethanamine is sourced from PubChem (CID 102894679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).