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

C8H13F2N — CID 177054109

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 Name4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidine
PubChem CID177054109
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name4-(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
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 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).