1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide

Name: 1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₁₃F₂NO₂S — CID 176666116

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

IUPAC1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide

SMILESO=S(=O)(N[C@H]1CCCC12CC2)C(F)F

InChIInChI=1S/C8H13F2NO2S/c9-7(10)14(12,13)11-6-2-1-3-8(6)4-5-8/h6-7,11H,1-5H2/t6-/m0/s1

InChIKeyJGXJHPSCCKHERI-LURJTMIESA-N

MW225.26 g/mol

LogP1.46

Rot. Bonds3

About 1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide

1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide (PubChem CID 176666116) has the molecular formula C₈H₁₃F₂NO₂S and a molecular weight of 225.26 g/mol. Its IUPAC name is 1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide.

Molecular Properties

Compound Name	1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide
PubChem CID	176666116
Molecular Formula	C₈H₁₃F₂NO₂S
Molecular Weight	225.26 g/mol
Exact Mass	225.06
IUPAC Name	1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide
SMILES	O=S(=O)(N[C@H]1CCCC12CC2)C(F)F
InChI	InChI=1S/C8H13F2NO2S/c9-7(10)14(12,13)11-6-2-1-3-8(6)4-5-8/h6-7,11H,1-5H2/t6-/m0/s1
InChIKey	JGXJHPSCCKHERI-LURJTMIESA-N
XLogP	1.46
TPSA	46.17 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	225.26
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide?

The IUPAC name of 1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide (CID 176666116) is 1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide.

What is the SMILES notation for 1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide?

The canonical SMILES for 1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide is O=S(=O)(N[C@H]1CCCC12CC2)C(F)F.

What is the InChIKey of 1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide?

The InChIKey is JGXJHPSCCKHERI-LURJTMIESA-N. The full InChI is InChI=1S/C8H13F2NO2S/c9-7(10)14(12,13)11-6-2-1-3-8(6)4-5-8/h6-7,11H,1-5H2/t6-/m0/s1.

What are the key properties of 1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide?

1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide has a molecular weight of 225.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide is sourced from PubChem (CID 176666116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 176666116 — identifiers, structure, computed properties (public domain)

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