4,4-difluoro-2-(2-methylpropyl)-1-propan-2-ylpyrrolidine

C11H21F2N — CID 146244473

IUPAC4,4-difluoro-2-(2-methylpropyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)CC1CC(F)(F)CN1C(C)C
InChIInChI=1S/C11H21F2N/c1-8(2)5-10-6-11(12,13)7-14(10)9(3)4/h8-10H,5-7H2,1-4H3
InChIKeySMQOLLFIFKQYLA-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.15
Rot. Bonds3

About 4,4-difluoro-2-(2-methylpropyl)-1-propan-2-ylpyrrolidine

4,4-difluoro-2-(2-methylpropyl)-1-propan-2-ylpyrrolidine (PubChem CID 146244473) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is 4,4-difluoro-2-(2-methylpropyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name4,4-difluoro-2-(2-methylpropyl)-1-propan-2-ylpyrrolidine
PubChem CID146244473
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name4,4-difluoro-2-(2-methylpropyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)CC1CC(F)(F)CN1C(C)C
InChIInChI=1S/C11H21F2N/c1-8(2)5-10-6-11(12,13)7-14(10)9(3)4/h8-10H,5-7H2,1-4H3
InChIKeySMQOLLFIFKQYLA-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-(2-methylpropyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of 4,4-difluoro-2-(2-methylpropyl)-1-propan-2-ylpyrrolidine (CID 146244473) is 4,4-difluoro-2-(2-methylpropyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 4,4-difluoro-2-(2-methylpropyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for 4,4-difluoro-2-(2-methylpropyl)-1-propan-2-ylpyrrolidine is CC(C)CC1CC(F)(F)CN1C(C)C.
What is the InChIKey of 4,4-difluoro-2-(2-methylpropyl)-1-propan-2-ylpyrrolidine?
The InChIKey is SMQOLLFIFKQYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-8(2)5-10-6-11(12,13)7-14(10)9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 4,4-difluoro-2-(2-methylpropyl)-1-propan-2-ylpyrrolidine?
4,4-difluoro-2-(2-methylpropyl)-1-propan-2-ylpyrrolidine has a molecular weight of 205.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-(2-methylpropyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 146244473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).