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

C11H19F2NO — CID 176663743

IUPAC4-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
SMILESCC(C)O[C@@H](C)C1CC(=C(F)F)CN1C
InChIInChI=1S/C11H19F2NO/c1-7(2)15-8(3)10-5-9(11(12)13)6-14(10)4/h7-8,10H,5-6H2,1-4H3/t8-,10?/m0/s1
InChIKeyFAWXCDMOJVGBSL-PEHGTWAWSA-N
MW219.27 g/mol
LogP2.65
Rot. Bonds3

About 4-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine

4-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine (PubChem CID 176663743) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 4-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine.

Molecular Properties

Compound Name4-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
PubChem CID176663743
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name4-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
SMILESCC(C)O[C@@H](C)C1CC(=C(F)F)CN1C
InChIInChI=1S/C11H19F2NO/c1-7(2)15-8(3)10-5-9(11(12)13)6-14(10)4/h7-8,10H,5-6H2,1-4H3/t8-,10?/m0/s1
InChIKeyFAWXCDMOJVGBSL-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

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Related Compounds

(4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 163575204
(2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 166533758
(4Z)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 166984384
(2R)-3,3-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 168995518
(2S)-2-[(1R)-2,2-difluoro-1-propan-2-yloxyethyl]-1-methylpyrrolidine
CID 168995652
(2S)-2-(2,2-difluoro-1-propan-2-yloxyethyl)-1-methylpyrrolidine
CID 169182175
(2R)-2-[(1S)-1-ethoxyethyl]-3,3-difluoro-1-methylpyrrolidine
CID 170053068
(2S)-2-[(1S)-1-ethoxyethyl]-4,4-difluoro-1-methylpyrrolidine
CID 170571870
(2S)-2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]-1-methylpyrrolidine
CID 171415525
2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]-1-methylpyrrolidine
CID 171415568
(2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 171415852
(4Z)-4-(1-fluoroethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine
CID 172247047

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The IUPAC name of 4-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine (CID 176663743) is 4-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine.
What is the SMILES notation for 4-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The canonical SMILES for 4-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine is CC(C)O[C@@H](C)C1CC(=C(F)F)CN1C.
What is the InChIKey of 4-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The InChIKey is FAWXCDMOJVGBSL-PEHGTWAWSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-7(2)15-8(3)10-5-9(11(12)13)6-14(10)4/h7-8,10H,5-6H2,1-4H3/t8-,10?/m0/s1.
What are the key properties of 4-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
4-(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 4-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine is sourced from PubChem (CID 176663743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).