(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine

C14H25F2NO — CID 164922210

IUPAC(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine
SMILESCCCC1(COC(C)C)C/C(=C/C(F)F)CN1C
InChIInChI=1S/C14H25F2NO/c1-5-6-14(10-18-11(2)3)8-12(7-13(15)16)9-17(14)4/h7,11,13H,5-6,8-10H2,1-4H3/b12-7-
InChIKeyOHPIFHMUYAROJZ-GHXNOFRVSA-N
MW261.36 g/mol
LogP3.48
Rot. Bonds6

About (4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine

(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine (PubChem CID 164922210) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is (4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine.

Molecular Properties

Compound Name(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine
PubChem CID164922210
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine
SMILESCCCC1(COC(C)C)C/C(=C/C(F)F)CN1C
InChIInChI=1S/C14H25F2NO/c1-5-6-14(10-18-11(2)3)8-12(7-13(15)16)9-17(14)4/h7,11,13H,5-6,8-10H2,1-4H3/b12-7-
InChIKeyOHPIFHMUYAROJZ-GHXNOFRVSA-N
XLogP3.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-Fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine
CID 163656567
(6E)-6-(1-fluoroethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163656573
(6Z)-6-(2,2-difluoroethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164921981
4-[(E)-2-fluoroethenyl]-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine
CID 164922069
(4Z)-4-(2,2-difluoroethylidene)-2-(ethoxymethyl)-1-methyl-2-propylpyrrolidine
CID 164922134
(6Z)-6-(2,2-difluoroethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164922238
[(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol
CID 164922426
6-Fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine
CID 166984317
2-(Difluoromethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine
CID 168996121
(8S)-2-(difluoromethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine
CID 168996122
(6Z)-6-(2,2-difluoroethylidene)-2-fluoro-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 169560085
(6Z)-2-fluoro-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 169560092

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine?
The IUPAC name of (4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine (CID 164922210) is (4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine.
What is the SMILES notation for (4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine?
The canonical SMILES for (4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine is CCCC1(COC(C)C)C/C(=C/C(F)F)CN1C.
What is the InChIKey of (4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine?
The InChIKey is OHPIFHMUYAROJZ-GHXNOFRVSA-N. The full InChI is InChI=1S/C14H25F2NO/c1-5-6-14(10-18-11(2)3)8-12(7-13(15)16)9-17(14)4/h7,11,13H,5-6,8-10H2,1-4H3/b12-7-.
What are the key properties of (4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine?
(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine has a molecular weight of 261.36 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine is sourced from PubChem (CID 164922210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).