2-(butan-2-yloxymethyl)-4-(difluoromethylidene)-1-methylpyrrolidine

C11H19F2NO — CID 176568571

IUPAC2-(butan-2-yloxymethyl)-4-(difluoromethylidene)-1-methylpyrrolidine
SMILESCCC(C)OCC1CC(=C(F)F)CN1C
InChIInChI=1S/C11H19F2NO/c1-4-8(2)15-7-10-5-9(11(12)13)6-14(10)3/h8,10H,4-7H2,1-3H3
InChIKeyJWHCNLSTNHFLSB-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.66
Rot. Bonds4

About 2-(butan-2-yloxymethyl)-4-(difluoromethylidene)-1-methylpyrrolidine

2-(butan-2-yloxymethyl)-4-(difluoromethylidene)-1-methylpyrrolidine (PubChem CID 176568571) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-(butan-2-yloxymethyl)-4-(difluoromethylidene)-1-methylpyrrolidine.

Molecular Properties

Compound Name2-(butan-2-yloxymethyl)-4-(difluoromethylidene)-1-methylpyrrolidine
PubChem CID176568571
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name2-(butan-2-yloxymethyl)-4-(difluoromethylidene)-1-methylpyrrolidine
SMILESCCC(C)OCC1CC(=C(F)F)CN1C
InChIInChI=1S/C11H19F2NO/c1-4-8(2)15-7-10-5-9(11(12)13)6-14(10)3/h8,10H,4-7H2,1-3H3
InChIKeyJWHCNLSTNHFLSB-UHFFFAOYSA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine
CID 146652796
(2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 155061244
(2R)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 156042869
(2S)-4,4-difluoro-2-(1-methoxyethenyl)-1-methylpyrrolidine
CID 156243404
1-(2,2-Difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine
CID 162616070
2-(Propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 163270688
(4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 163575204
4,4-Difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 164875925
(4Z)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 166984384
(2S)-2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 167225603
3,3-Difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 169201735
(4Z)-4-(1-fluoroethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine
CID 172247047

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-yloxymethyl)-4-(difluoromethylidene)-1-methylpyrrolidine?
The IUPAC name of 2-(butan-2-yloxymethyl)-4-(difluoromethylidene)-1-methylpyrrolidine (CID 176568571) is 2-(butan-2-yloxymethyl)-4-(difluoromethylidene)-1-methylpyrrolidine.
What is the SMILES notation for 2-(butan-2-yloxymethyl)-4-(difluoromethylidene)-1-methylpyrrolidine?
The canonical SMILES for 2-(butan-2-yloxymethyl)-4-(difluoromethylidene)-1-methylpyrrolidine is CCC(C)OCC1CC(=C(F)F)CN1C.
What is the InChIKey of 2-(butan-2-yloxymethyl)-4-(difluoromethylidene)-1-methylpyrrolidine?
The InChIKey is JWHCNLSTNHFLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-4-8(2)15-7-10-5-9(11(12)13)6-14(10)3/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-(butan-2-yloxymethyl)-4-(difluoromethylidene)-1-methylpyrrolidine?
2-(butan-2-yloxymethyl)-4-(difluoromethylidene)-1-methylpyrrolidine has a molecular weight of 219.27 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-yloxymethyl)-4-(difluoromethylidene)-1-methylpyrrolidine is sourced from PubChem (CID 176568571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).