4,4-difluoro-1-methyl-2-propan-2-ylidenepyrrolidine

C8H13F2N — CID 148521294

IUPAC4,4-difluoro-1-methyl-2-propan-2-ylidenepyrrolidine
SMILESCC(C)=C1CC(F)(F)CN1C
InChIInChI=1S/C8H13F2N/c1-6(2)7-4-8(9,10)5-11(7)3/h4-5H2,1-3H3
InChIKeyMOLMNVVLNCQJBY-UHFFFAOYSA-N
MW161.19 g/mol
LogP2.25
Rot. Bonds

About 4,4-difluoro-1-methyl-2-propan-2-ylidenepyrrolidine

4,4-difluoro-1-methyl-2-propan-2-ylidenepyrrolidine (PubChem CID 148521294) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 4,4-difluoro-1-methyl-2-propan-2-ylidenepyrrolidine.

Molecular Properties

Compound Name4,4-difluoro-1-methyl-2-propan-2-ylidenepyrrolidine
PubChem CID148521294
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name4,4-difluoro-1-methyl-2-propan-2-ylidenepyrrolidine
SMILESCC(C)=C1CC(F)(F)CN1C
InChIInChI=1S/C8H13F2N/c1-6(2)7-4-8(9,10)5-11(7)3/h4-5H2,1-3H3
InChIKeyMOLMNVVLNCQJBY-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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 4,4-difluoro-1-methyl-2-propan-2-ylidenepyrrolidine?
The IUPAC name of 4,4-difluoro-1-methyl-2-propan-2-ylidenepyrrolidine (CID 148521294) is 4,4-difluoro-1-methyl-2-propan-2-ylidenepyrrolidine.
What is the SMILES notation for 4,4-difluoro-1-methyl-2-propan-2-ylidenepyrrolidine?
The canonical SMILES for 4,4-difluoro-1-methyl-2-propan-2-ylidenepyrrolidine is CC(C)=C1CC(F)(F)CN1C.
What is the InChIKey of 4,4-difluoro-1-methyl-2-propan-2-ylidenepyrrolidine?
The InChIKey is MOLMNVVLNCQJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-6(2)7-4-8(9,10)5-11(7)3/h4-5H2,1-3H3.
What are the key properties of 4,4-difluoro-1-methyl-2-propan-2-ylidenepyrrolidine?
4,4-difluoro-1-methyl-2-propan-2-ylidenepyrrolidine has a molecular weight of 161.19 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methyl-2-propan-2-ylidenepyrrolidine is sourced from PubChem (CID 148521294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).