4-(difluoromethylidene)-2-(ethoxymethyl)-1-methylpyrrolidine

C9H15F2NO — CID 176568089

IUPAC4-(difluoromethylidene)-2-(ethoxymethyl)-1-methylpyrrolidine
SMILESCCOCC1CC(=C(F)F)CN1C
InChIInChI=1S/C9H15F2NO/c1-3-13-6-8-4-7(9(10)11)5-12(8)2/h8H,3-6H2,1-2H3
InChIKeyMFQAVEXFKACRAM-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.88
Rot. Bonds3

About 4-(difluoromethylidene)-2-(ethoxymethyl)-1-methylpyrrolidine

4-(difluoromethylidene)-2-(ethoxymethyl)-1-methylpyrrolidine (PubChem CID 176568089) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 4-(difluoromethylidene)-2-(ethoxymethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name4-(difluoromethylidene)-2-(ethoxymethyl)-1-methylpyrrolidine
PubChem CID176568089
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name4-(difluoromethylidene)-2-(ethoxymethyl)-1-methylpyrrolidine
SMILESCCOCC1CC(=C(F)F)CN1C
InChIInChI=1S/C9H15F2NO/c1-3-13-6-8-4-7(9(10)11)5-12(8)2/h8H,3-6H2,1-2H3
InChIKeyMFQAVEXFKACRAM-UHFFFAOYSA-N
XLogP1.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4,4-difluoro-2-(1-methoxyethenyl)-1-methylpyrrolidine
CID 156243404
(4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 163575204
2-(Ethoxymethyl)-4,4-difluoro-1-methylpyrrolidine
CID 166489046
(4Z)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 166984384
3-(Difluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine
CID 172247096
3-(Difluoromethylidene)-2-(ethoxymethyl)-1-methylpyrrolidine
CID 172247237
3-(Difluoromethylidene)-2-(1-ethoxyethyl)-1-methylpyrrolidine
CID 172247290
[(2S)-4-(difluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
CID 176323839
(4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine
CID 176568175
4-(Difluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 176568224
4-(Difluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine
CID 176568485
2-(Butan-2-yloxymethyl)-4-(difluoromethylidene)-1-methylpyrrolidine
CID 176568571

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-2-(ethoxymethyl)-1-methylpyrrolidine?
The IUPAC name of 4-(difluoromethylidene)-2-(ethoxymethyl)-1-methylpyrrolidine (CID 176568089) is 4-(difluoromethylidene)-2-(ethoxymethyl)-1-methylpyrrolidine.
What is the SMILES notation for 4-(difluoromethylidene)-2-(ethoxymethyl)-1-methylpyrrolidine?
The canonical SMILES for 4-(difluoromethylidene)-2-(ethoxymethyl)-1-methylpyrrolidine is CCOCC1CC(=C(F)F)CN1C.
What is the InChIKey of 4-(difluoromethylidene)-2-(ethoxymethyl)-1-methylpyrrolidine?
The InChIKey is MFQAVEXFKACRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-3-13-6-8-4-7(9(10)11)5-12(8)2/h8H,3-6H2,1-2H3.
What are the key properties of 4-(difluoromethylidene)-2-(ethoxymethyl)-1-methylpyrrolidine?
4-(difluoromethylidene)-2-(ethoxymethyl)-1-methylpyrrolidine has a molecular weight of 191.22 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-2-(ethoxymethyl)-1-methylpyrrolidine is sourced from PubChem (CID 176568089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).