1-ethyl-3,3-difluoropyrrolidine

C6H11F2N — CID 70209965

IUPAC1-ethyl-3,3-difluoropyrrolidine
SMILESCCN1CCC(F)(F)C1
InChIInChI=1S/C6H11F2N/c1-2-9-4-3-6(7,8)5-9/h2-5H2,1H3
InChIKeyOXXACHGJWHILSR-UHFFFAOYSA-N
MW135.16 g/mol
LogP1.35
Rot. Bonds1

About 1-ethyl-3,3-difluoropyrrolidine

1-ethyl-3,3-difluoropyrrolidine (PubChem CID 70209965) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is 1-ethyl-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-ethyl-3,3-difluoropyrrolidine
PubChem CID70209965
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name1-ethyl-3,3-difluoropyrrolidine
SMILESCCN1CCC(F)(F)C1
InChIInChI=1S/C6H11F2N/c1-2-9-4-3-6(7,8)5-9/h2-5H2,1H3
InChIKeyOXXACHGJWHILSR-UHFFFAOYSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,3-difluoropyrrolidine?
The IUPAC name of 1-ethyl-3,3-difluoropyrrolidine (CID 70209965) is 1-ethyl-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-ethyl-3,3-difluoropyrrolidine?
The canonical SMILES for 1-ethyl-3,3-difluoropyrrolidine is CCN1CCC(F)(F)C1.
What is the InChIKey of 1-ethyl-3,3-difluoropyrrolidine?
The InChIKey is OXXACHGJWHILSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N/c1-2-9-4-3-6(7,8)5-9/h2-5H2,1H3.
What are the key properties of 1-ethyl-3,3-difluoropyrrolidine?
1-ethyl-3,3-difluoropyrrolidine has a molecular weight of 135.16 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,3-difluoropyrrolidine is sourced from PubChem (CID 70209965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).