4-[ethoxy(difluoro)methyl]-1-iodo-N-methylpyrrolidin-3-amine

C8H15F2IN2O — CID 166796960

IUPAC4-[ethoxy(difluoro)methyl]-1-iodo-N-methylpyrrolidin-3-amine
SMILESCCOC(F)(F)C1CN(I)CC1NC
InChIInChI=1S/C8H15F2IN2O/c1-3-14-8(9,10)6-4-13(11)5-7(6)12-2/h6-7,12H,3-5H2,1-2H3
InChIKeyMUKCASRTHJWBFY-UHFFFAOYSA-N
MW320.12 g/mol
LogP1.49
Rot. Bonds4

About 4-[ethoxy(difluoro)methyl]-1-iodo-N-methylpyrrolidin-3-amine

4-[ethoxy(difluoro)methyl]-1-iodo-N-methylpyrrolidin-3-amine (PubChem CID 166796960) has the molecular formula C8H15F2IN2O and a molecular weight of 320.12 g/mol. Its IUPAC name is 4-[ethoxy(difluoro)methyl]-1-iodo-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-[ethoxy(difluoro)methyl]-1-iodo-N-methylpyrrolidin-3-amine
PubChem CID166796960
Molecular FormulaC8H15F2IN2O
Molecular Weight320.12 g/mol
Exact Mass320.02
IUPAC Name4-[ethoxy(difluoro)methyl]-1-iodo-N-methylpyrrolidin-3-amine
SMILESCCOC(F)(F)C1CN(I)CC1NC
InChIInChI=1S/C8H15F2IN2O/c1-3-14-8(9,10)6-4-13(11)5-7(6)12-2/h6-7,12H,3-5H2,1-2H3
InChIKeyMUKCASRTHJWBFY-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.12
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

4-Fluoro-4-(methoxymethyl)pyrrolidin-3-amine
CID 146364486
4-[ethoxy(difluoro)methyl]-N-methylpyrrolidin-3-amine
CID 166796955
N'-cyclopropyl-N-(oxolan-3-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55089876
N-(oxolan-3-ylmethyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55090261
N-(oxolan-3-ylmethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55090315
1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-3-amine
CID 61490927
4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butan-2-amine
CID 61870675
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61892790
2-methyl-N-[[3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62256028
N'-ethyl-N-(oxolan-3-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62553668
N'-methyl-N-(oxolan-3-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62560473
N-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-3-amine
CID 63299878

Frequently Asked Questions

What is the IUPAC name of 4-[ethoxy(difluoro)methyl]-1-iodo-N-methylpyrrolidin-3-amine?
The IUPAC name of 4-[ethoxy(difluoro)methyl]-1-iodo-N-methylpyrrolidin-3-amine (CID 166796960) is 4-[ethoxy(difluoro)methyl]-1-iodo-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 4-[ethoxy(difluoro)methyl]-1-iodo-N-methylpyrrolidin-3-amine?
The canonical SMILES for 4-[ethoxy(difluoro)methyl]-1-iodo-N-methylpyrrolidin-3-amine is CCOC(F)(F)C1CN(I)CC1NC.
What is the InChIKey of 4-[ethoxy(difluoro)methyl]-1-iodo-N-methylpyrrolidin-3-amine?
The InChIKey is MUKCASRTHJWBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2IN2O/c1-3-14-8(9,10)6-4-13(11)5-7(6)12-2/h6-7,12H,3-5H2,1-2H3.
What are the key properties of 4-[ethoxy(difluoro)methyl]-1-iodo-N-methylpyrrolidin-3-amine?
4-[ethoxy(difluoro)methyl]-1-iodo-N-methylpyrrolidin-3-amine has a molecular weight of 320.12 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethoxy(difluoro)methyl]-1-iodo-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 166796960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).