4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine

Name: 4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₁₃F₂N — CID 177054109

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

IUPAC4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine

SMILESCCC1CC(=C(F)F)CN1C

InChIInChI=1S/C8H13F2N/c1-3-7-4-6(8(9)10)5-11(7)2/h7H,3-5H2,1-2H3

InChIKeyCODSOOFPYUYCCL-UHFFFAOYSA-N

MW161.19 g/mol

LogP2.25

Rot. Bonds1

About 4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine

4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine (PubChem CID 177054109) has the molecular formula C₈H₁₃F₂N and a molecular weight of 161.19 g/mol. Its IUPAC name is 4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine.

Molecular Properties

Compound Name	4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine
PubChem CID	177054109
Molecular Formula	C₈H₁₃F₂N
Molecular Weight	161.19 g/mol
Exact Mass	161.10
IUPAC Name	4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine
SMILES	CCC1CC(=C(F)F)CN1C
InChI	InChI=1S/C8H13F2N/c1-3-7-4-6(8(9)10)5-11(7)2/h7H,3-5H2,1-2H3
InChIKey	CODSOOFPYUYCCL-UHFFFAOYSA-N
XLogP	2.25
TPSA	3.24 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	1
Heavy Atoms	11
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	161.19
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine?

The IUPAC name of 4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine (CID 177054109) is 4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine.

What is the SMILES notation for 4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine?

The canonical SMILES for 4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine is CCC1CC(=C(F)F)CN1C.

What is the InChIKey of 4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine?

The InChIKey is CODSOOFPYUYCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-3-7-4-6(8(9)10)5-11(7)2/h7H,3-5H2,1-2H3.

What are the key properties of 4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine?

4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine has a molecular weight of 161.19 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine is sourced from PubChem (CID 177054109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 177054109 — identifiers, structure, computed properties (public domain)

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