5,5-Difluorooctahydropentalen-2-amine

Name: 5,5-Difluorooctahydropentalen-2-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₁₃F₂N — CID 105431578

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-amine

SMILESNC1CC2CC(F)(F)CC2C1

InChIInChI=1S/C8H13F2N/c9-8(10)3-5-1-7(11)2-6(5)4-8/h5-7H,1-4,11H2

InChIKeyZVGNSKWEOGCMNG-UHFFFAOYSA-N

MW161.19 g/mol

LogP1.77

Rot. Bonds

About 5,5-Difluorooctahydropentalen-2-amine

5,5-Difluorooctahydropentalen-2-amine (PubChem CID 105431578) has the molecular formula C₈H₁₃F₂N and a molecular weight of 161.19 g/mol. Its IUPAC name is 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-amine.

Molecular Properties

Compound Name	5,5-Difluorooctahydropentalen-2-amine
PubChem CID	105431578
Molecular Formula	C₈H₁₃F₂N
Molecular Weight	161.19 g/mol
Exact Mass	161.10
IUPAC Name	5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-amine
SMILES	NC1CC2CC(F)(F)CC2C1
InChI	InChI=1S/C8H13F2N/c9-8(10)3-5-1-7(11)2-6(5)4-8/h5-7H,1-4,11H2
InChIKey	ZVGNSKWEOGCMNG-UHFFFAOYSA-N
XLogP	1.77
TPSA	26.02 Å²
H-Bond Donors	1
H-Bond Acceptors	1
Rotatable Bonds
Heavy Atoms	11
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	161.19
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 5,5-Difluorooctahydropentalen-2-amine?

The IUPAC name of 5,5-Difluorooctahydropentalen-2-amine (CID 105431578) is 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-amine.

What is the SMILES notation for 5,5-Difluorooctahydropentalen-2-amine?

The canonical SMILES for 5,5-Difluorooctahydropentalen-2-amine is NC1CC2CC(F)(F)CC2C1.

What is the InChIKey of 5,5-Difluorooctahydropentalen-2-amine?

The InChIKey is ZVGNSKWEOGCMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c9-8(10)3-5-1-7(11)2-6(5)4-8/h5-7H,1-4,11H2.

What are the key properties of 5,5-Difluorooctahydropentalen-2-amine?

5,5-Difluorooctahydropentalen-2-amine has a molecular weight of 161.19 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-Difluorooctahydropentalen-2-amine is sourced from PubChem (CID 105431578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 105431578 — identifiers, structure, computed properties (public domain)

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