4-(1,1-difluoro-2-methoxyethyl)-1-methylpyrrolidin-3-amine

C8H16F2N2O — CID 137489575

IUPAC4-(1,1-difluoro-2-methoxyethyl)-1-methylpyrrolidin-3-amine
SMILESCOCC(F)(F)C1CN(C)CC1N
InChIInChI=1S/C8H16F2N2O/c1-12-3-6(7(11)4-12)8(9,10)5-13-2/h6-7H,3-5,11H2,1-2H3
InChIKeySVTZCMVSJHAGIH-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.16
Rot. Bonds3

About 4-(1,1-difluoro-2-methoxyethyl)-1-methylpyrrolidin-3-amine

4-(1,1-difluoro-2-methoxyethyl)-1-methylpyrrolidin-3-amine (PubChem CID 137489575) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 4-(1,1-difluoro-2-methoxyethyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-(1,1-difluoro-2-methoxyethyl)-1-methylpyrrolidin-3-amine
PubChem CID137489575
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name4-(1,1-difluoro-2-methoxyethyl)-1-methylpyrrolidin-3-amine
SMILESCOCC(F)(F)C1CN(C)CC1N
InChIInChI=1S/C8H16F2N2O/c1-12-3-6(7(11)4-12)8(9,10)5-13-2/h6-7H,3-5,11H2,1-2H3
InChIKeySVTZCMVSJHAGIH-UHFFFAOYSA-N
XLogP0.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoro-2-methoxyethyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of 4-(1,1-difluoro-2-methoxyethyl)-1-methylpyrrolidin-3-amine (CID 137489575) is 4-(1,1-difluoro-2-methoxyethyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for 4-(1,1-difluoro-2-methoxyethyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for 4-(1,1-difluoro-2-methoxyethyl)-1-methylpyrrolidin-3-amine is COCC(F)(F)C1CN(C)CC1N.
What is the InChIKey of 4-(1,1-difluoro-2-methoxyethyl)-1-methylpyrrolidin-3-amine?
The InChIKey is SVTZCMVSJHAGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-12-3-6(7(11)4-12)8(9,10)5-13-2/h6-7H,3-5,11H2,1-2H3.
What are the key properties of 4-(1,1-difluoro-2-methoxyethyl)-1-methylpyrrolidin-3-amine?
4-(1,1-difluoro-2-methoxyethyl)-1-methylpyrrolidin-3-amine has a molecular weight of 194.22 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoro-2-methoxyethyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 137489575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).