1-ethyl-4,4-difluoro-2-methylpyrrolidine

C7H13F2N — CID 90054151

IUPAC1-ethyl-4,4-difluoro-2-methylpyrrolidine
SMILESCCN1CC(F)(F)CC1C
InChIInChI=1S/C7H13F2N/c1-3-10-5-7(8,9)4-6(10)2/h6H,3-5H2,1-2H3
InChIKeyFPHBNOVOEYNJJI-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.74
Rot. Bonds1

About 1-ethyl-4,4-difluoro-2-methylpyrrolidine

1-ethyl-4,4-difluoro-2-methylpyrrolidine (PubChem CID 90054151) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is 1-ethyl-4,4-difluoro-2-methylpyrrolidine.

Molecular Properties

Compound Name1-ethyl-4,4-difluoro-2-methylpyrrolidine
PubChem CID90054151
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name1-ethyl-4,4-difluoro-2-methylpyrrolidine
SMILESCCN1CC(F)(F)CC1C
InChIInChI=1S/C7H13F2N/c1-3-10-5-7(8,9)4-6(10)2/h6H,3-5H2,1-2H3
InChIKeyFPHBNOVOEYNJJI-UHFFFAOYSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,4-difluoro-2-methylpyrrolidine?
The IUPAC name of 1-ethyl-4,4-difluoro-2-methylpyrrolidine (CID 90054151) is 1-ethyl-4,4-difluoro-2-methylpyrrolidine.
What is the SMILES notation for 1-ethyl-4,4-difluoro-2-methylpyrrolidine?
The canonical SMILES for 1-ethyl-4,4-difluoro-2-methylpyrrolidine is CCN1CC(F)(F)CC1C.
What is the InChIKey of 1-ethyl-4,4-difluoro-2-methylpyrrolidine?
The InChIKey is FPHBNOVOEYNJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c1-3-10-5-7(8,9)4-6(10)2/h6H,3-5H2,1-2H3.
What are the key properties of 1-ethyl-4,4-difluoro-2-methylpyrrolidine?
1-ethyl-4,4-difluoro-2-methylpyrrolidine has a molecular weight of 149.18 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,4-difluoro-2-methylpyrrolidine is sourced from PubChem (CID 90054151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).