3-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine

C11H19F2NO — CID 176664400

IUPAC3-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
SMILESCC(C)O[C@@H](C)C1C(=C(F)F)CCN1C
InChIInChI=1S/C11H19F2NO/c1-7(2)15-8(3)10-9(11(12)13)5-6-14(10)4/h7-8,10H,5-6H2,1-4H3/t8-,10?/m0/s1
InChIKeyDPETYXOIFRVMDV-PEHGTWAWSA-N
MW219.27 g/mol
LogP2.65
Rot. Bonds3

About 3-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine

3-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine (PubChem CID 176664400) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 3-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine.

Molecular Properties

Compound Name3-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
PubChem CID176664400
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name3-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
SMILESCC(C)O[C@@H](C)C1C(=C(F)F)CCN1C
InChIInChI=1S/C11H19F2NO/c1-7(2)15-8(3)10-9(11(12)13)5-6-14(10)4/h7-8,10H,5-6H2,1-4H3/t8-,10?/m0/s1
InChIKeyDPETYXOIFRVMDV-PEHGTWAWSA-N
XLogP2.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The IUPAC name of 3-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine (CID 176664400) is 3-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine.
What is the SMILES notation for 3-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The canonical SMILES for 3-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine is CC(C)O[C@@H](C)C1C(=C(F)F)CCN1C.
What is the InChIKey of 3-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The InChIKey is DPETYXOIFRVMDV-PEHGTWAWSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-7(2)15-8(3)10-9(11(12)13)5-6-14(10)4/h7-8,10H,5-6H2,1-4H3/t8-,10?/m0/s1.
What are the key properties of 3-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
3-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine has a molecular weight of 219.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine is sourced from PubChem (CID 176664400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).