4-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidine

C9H17F2N — CID 154671358

IUPAC4-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidine
SMILESCCC1CN(C(C)C)CC1(F)F
InChIInChI=1S/C9H17F2N/c1-4-8-5-12(7(2)3)6-9(8,10)11/h7-8H,4-6H2,1-3H3
InChIKeyUECURLVYHYQPGA-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.37
Rot. Bonds2

About 4-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidine

4-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidine (PubChem CID 154671358) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 4-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name4-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidine
PubChem CID154671358
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name4-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidine
SMILESCCC1CN(C(C)C)CC1(F)F
InChIInChI=1S/C9H17F2N/c1-4-8-5-12(7(2)3)6-9(8,10)11/h7-8H,4-6H2,1-3H3
InChIKeyUECURLVYHYQPGA-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidine?
The IUPAC name of 4-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidine (CID 154671358) is 4-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 4-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidine?
The canonical SMILES for 4-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidine is CCC1CN(C(C)C)CC1(F)F.
What is the InChIKey of 4-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidine?
The InChIKey is UECURLVYHYQPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-4-8-5-12(7(2)3)6-9(8,10)11/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidine?
4-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidine has a molecular weight of 177.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 154671358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).