4-(difluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine

C10H17F2NO — CID 176568224

IUPAC4-(difluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OCC1CC(=C(F)F)CN1C
InChIInChI=1S/C10H17F2NO/c1-7(2)14-6-9-4-8(10(11)12)5-13(9)3/h7,9H,4-6H2,1-3H3
InChIKeyNCRAGTHVWIFGNZ-UHFFFAOYSA-N
MW205.25 g/mol
LogP2.27
Rot. Bonds3

About 4-(difluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine

4-(difluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 176568224) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 4-(difluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name4-(difluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
PubChem CID176568224
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name4-(difluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OCC1CC(=C(F)F)CN1C
InChIInChI=1S/C10H17F2NO/c1-7(2)14-6-9-4-8(10(11)12)5-13(9)3/h7,9H,4-6H2,1-3H3
InChIKeyNCRAGTHVWIFGNZ-UHFFFAOYSA-N
XLogP2.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.27
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 4-(difluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of 4-(difluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine (CID 176568224) is 4-(difluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for 4-(difluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for 4-(difluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine is CC(C)OCC1CC(=C(F)F)CN1C.
What is the InChIKey of 4-(difluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is NCRAGTHVWIFGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-7(2)14-6-9-4-8(10(11)12)5-13(9)3/h7,9H,4-6H2,1-3H3.
What are the key properties of 4-(difluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
4-(difluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 205.25 g/mol, XLogP of 2.27, 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-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 176568224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).