1-methyl-3-(2,2,3,3-tetrafluoro-1-methylcyclopropyl)pyrrolidine

C9H13F4N — CID 58944992

IUPAC1-methyl-3-(2,2,3,3-tetrafluoro-1-methylcyclopropyl)pyrrolidine
SMILESCN1CCC(C2(C)C(F)(F)C2(F)F)C1
InChIInChI=1S/C9H13F4N/c1-7(6-3-4-14(2)5-6)8(10,11)9(7,12)13/h6H,3-5H2,1-2H3
InChIKeyQDVUSLLKJJUIQA-UHFFFAOYSA-N
MW211.20 g/mol
LogP2.23
Rot. Bonds1

About 1-methyl-3-(2,2,3,3-tetrafluoro-1-methylcyclopropyl)pyrrolidine

1-methyl-3-(2,2,3,3-tetrafluoro-1-methylcyclopropyl)pyrrolidine (PubChem CID 58944992) has the molecular formula C9H13F4N and a molecular weight of 211.20 g/mol. Its IUPAC name is 1-methyl-3-(2,2,3,3-tetrafluoro-1-methylcyclopropyl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-3-(2,2,3,3-tetrafluoro-1-methylcyclopropyl)pyrrolidine
PubChem CID58944992
Molecular FormulaC9H13F4N
Molecular Weight211.20 g/mol
Exact Mass211.10
IUPAC Name1-methyl-3-(2,2,3,3-tetrafluoro-1-methylcyclopropyl)pyrrolidine
SMILESCN1CCC(C2(C)C(F)(F)C2(F)F)C1
InChIInChI=1S/C9H13F4N/c1-7(6-3-4-14(2)5-6)8(10,11)9(7,12)13/h6H,3-5H2,1-2H3
InChIKeyQDVUSLLKJJUIQA-UHFFFAOYSA-N
XLogP2.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2,2,3,3-tetrafluoro-1-methylcyclopropyl)pyrrolidine?
The IUPAC name of 1-methyl-3-(2,2,3,3-tetrafluoro-1-methylcyclopropyl)pyrrolidine (CID 58944992) is 1-methyl-3-(2,2,3,3-tetrafluoro-1-methylcyclopropyl)pyrrolidine.
What is the SMILES notation for 1-methyl-3-(2,2,3,3-tetrafluoro-1-methylcyclopropyl)pyrrolidine?
The canonical SMILES for 1-methyl-3-(2,2,3,3-tetrafluoro-1-methylcyclopropyl)pyrrolidine is CN1CCC(C2(C)C(F)(F)C2(F)F)C1.
What is the InChIKey of 1-methyl-3-(2,2,3,3-tetrafluoro-1-methylcyclopropyl)pyrrolidine?
The InChIKey is QDVUSLLKJJUIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4N/c1-7(6-3-4-14(2)5-6)8(10,11)9(7,12)13/h6H,3-5H2,1-2H3.
What are the key properties of 1-methyl-3-(2,2,3,3-tetrafluoro-1-methylcyclopropyl)pyrrolidine?
1-methyl-3-(2,2,3,3-tetrafluoro-1-methylcyclopropyl)pyrrolidine has a molecular weight of 211.20 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2,2,3,3-tetrafluoro-1-methylcyclopropyl)pyrrolidine is sourced from PubChem (CID 58944992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).