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

C8H13F2N — CID 177053637

IUPAC3-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine
SMILESCCC1C(=C(F)F)CCN1C
InChIInChI=1S/C8H13F2N/c1-3-7-6(8(9)10)4-5-11(7)2/h7H,3-5H2,1-2H3
InChIKeyCCAJGGWCQDSAGE-UHFFFAOYSA-N
MW161.19 g/mol
LogP2.25
Rot. Bonds1

About 3-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine

3-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine (PubChem CID 177053637) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 3-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine.

Molecular Properties

Compound Name3-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine
PubChem CID177053637
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name3-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine
SMILESCCC1C(=C(F)F)CCN1C
InChIInChI=1S/C8H13F2N/c1-3-7-6(8(9)10)4-5-11(7)2/h7H,3-5H2,1-2H3
InChIKeyCCAJGGWCQDSAGE-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine?
The IUPAC name of 3-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine (CID 177053637) is 3-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine.
What is the SMILES notation for 3-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine?
The canonical SMILES for 3-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine is CCC1C(=C(F)F)CCN1C.
What is the InChIKey of 3-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine?
The InChIKey is CCAJGGWCQDSAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-3-7-6(8(9)10)4-5-11(7)2/h7H,3-5H2,1-2H3.
What are the key properties of 3-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine?
3-(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 3-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine is sourced from PubChem (CID 177053637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).