(2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine

Name: (2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₁₇F₂NO — CID 155061244

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

IUPAC(2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine

SMILESCC(C)OC[C@@H]1CC(F)(F)CN1C

InChIInChI=1S/C9H17F2NO/c1-7(2)13-5-8-4-9(10,11)6-12(8)3/h7-8H,4-6H2,1-3H3/t8-/m0/s1

InChIKeyJUDJQEYYJKZQQN-QMMMGPOBSA-N

MW193.24 g/mol

LogP1.75

Rot. Bonds3

About (2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine

(2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 155061244) has the molecular formula C₉H₁₇F₂NO and a molecular weight of 193.24 g/mol. Its IUPAC name is (2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name	(2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
PubChem CID	155061244
Molecular Formula	C₉H₁₇F₂NO
Molecular Weight	193.24 g/mol
Exact Mass	193.13
IUPAC Name	(2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILES	CC(C)OC[C@@H]1CC(F)(F)CN1C
InChI	InChI=1S/C9H17F2NO/c1-7(2)13-5-8-4-9(10,11)6-12(8)3/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKey	JUDJQEYYJKZQQN-QMMMGPOBSA-N
XLogP	1.75
TPSA	12.47 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	193.24
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?

The IUPAC name of (2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine (CID 155061244) is (2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine.

What is the SMILES notation for (2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?

The canonical SMILES for (2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine is CC(C)OC[C@@H]1CC(F)(F)CN1C.

What is the InChIKey of (2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?

The InChIKey is JUDJQEYYJKZQQN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(2)13-5-8-4-9(10,11)6-12(8)3/h7-8H,4-6H2,1-3H3/t8-/m0/s1.

What are the key properties of (2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?

(2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 193.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 155061244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 155061244 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.