4-(difluoromethylidene)-2,2-diethylpyrrolidine

C9H15F2N — CID 169181315

IUPAC4-(difluoromethylidene)-2,2-diethylpyrrolidine
SMILESCCC1(CC)CC(=C(F)F)CN1
InChIInChI=1S/C9H15F2N/c1-3-9(4-2)5-7(6-12-9)8(10)11/h12H,3-6H2,1-2H3
InChIKeyVGCJXLVTTBAFBN-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.69
Rot. Bonds2

About 4-(difluoromethylidene)-2,2-diethylpyrrolidine

4-(difluoromethylidene)-2,2-diethylpyrrolidine (PubChem CID 169181315) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 4-(difluoromethylidene)-2,2-diethylpyrrolidine.

Molecular Properties

Compound Name4-(difluoromethylidene)-2,2-diethylpyrrolidine
PubChem CID169181315
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name4-(difluoromethylidene)-2,2-diethylpyrrolidine
SMILESCCC1(CC)CC(=C(F)F)CN1
InChIInChI=1S/C9H15F2N/c1-3-9(4-2)5-7(6-12-9)8(10)11/h12H,3-6H2,1-2H3
InChIKeyVGCJXLVTTBAFBN-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-2,2-diethylpyrrolidine?
The IUPAC name of 4-(difluoromethylidene)-2,2-diethylpyrrolidine (CID 169181315) is 4-(difluoromethylidene)-2,2-diethylpyrrolidine.
What is the SMILES notation for 4-(difluoromethylidene)-2,2-diethylpyrrolidine?
The canonical SMILES for 4-(difluoromethylidene)-2,2-diethylpyrrolidine is CCC1(CC)CC(=C(F)F)CN1.
What is the InChIKey of 4-(difluoromethylidene)-2,2-diethylpyrrolidine?
The InChIKey is VGCJXLVTTBAFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-3-9(4-2)5-7(6-12-9)8(10)11/h12H,3-6H2,1-2H3.
What are the key properties of 4-(difluoromethylidene)-2,2-diethylpyrrolidine?
4-(difluoromethylidene)-2,2-diethylpyrrolidine has a molecular weight of 175.22 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-2,2-diethylpyrrolidine is sourced from PubChem (CID 169181315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).