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

C8H16F2N2O — CID 166796955

IUPAC4-[ethoxy(difluoro)methyl]-N-methylpyrrolidin-3-amine
SMILESCCOC(F)(F)C1CNCC1NC
InChIInChI=1S/C8H16F2N2O/c1-3-13-8(9,10)6-4-12-5-7(6)11-2/h6-7,11-12H,3-5H2,1-2H3
InChIKeyFQZLSSTWWLJLQF-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.42
Rot. Bonds4

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

4-[ethoxy(difluoro)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 166796955) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 4-[ethoxy(difluoro)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-[ethoxy(difluoro)methyl]-N-methylpyrrolidin-3-amine
PubChem CID166796955
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name4-[ethoxy(difluoro)methyl]-N-methylpyrrolidin-3-amine
SMILESCCOC(F)(F)C1CNCC1NC
InChIInChI=1S/C8H16F2N2O/c1-3-13-8(9,10)6-4-12-5-7(6)11-2/h6-7,11-12H,3-5H2,1-2H3
InChIKeyFQZLSSTWWLJLQF-UHFFFAOYSA-N
XLogP0.42
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[ethoxy(difluoro)methyl]-N-methylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Fluoro-4-(methoxymethyl)pyrrolidin-3-amine
CID 146364486
4-(1,1-difluoro-2-methoxyethyl)-N-methylpyrrolidin-3-amine
CID 146364731
N-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-2-amine
CID 166470499
4-[ethoxy(difluoro)methyl]-1-iodo-N-methylpyrrolidin-3-amine
CID 166796960
N-(oxolan-3-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 54927123
1-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine
CID 54961613
1-N,1-N,3-trimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine
CID 54961716
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54961971
N-[(1-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54961972
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 55056562
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

Frequently Asked Questions

What is the IUPAC name of 4-[ethoxy(difluoro)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 4-[ethoxy(difluoro)methyl]-N-methylpyrrolidin-3-amine (CID 166796955) is 4-[ethoxy(difluoro)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 4-[ethoxy(difluoro)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 4-[ethoxy(difluoro)methyl]-N-methylpyrrolidin-3-amine is CCOC(F)(F)C1CNCC1NC.
What is the InChIKey of 4-[ethoxy(difluoro)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is FQZLSSTWWLJLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-3-13-8(9,10)6-4-12-5-7(6)11-2/h6-7,11-12H,3-5H2,1-2H3.
What are the key properties of 4-[ethoxy(difluoro)methyl]-N-methylpyrrolidin-3-amine?
4-[ethoxy(difluoro)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 194.22 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethoxy(difluoro)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 166796955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).