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

C8H16F2N2O — CID 146364731

IUPAC4-(1,1-difluoro-2-methoxyethyl)-N-methylpyrrolidin-3-amine
SMILESCNC1CNCC1C(F)(F)COC
InChIInChI=1S/C8H16F2N2O/c1-11-7-4-12-3-6(7)8(9,10)5-13-2/h6-7,11-12H,3-5H2,1-2H3
InChIKeyXBDYWBCZXRJSBR-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.08
Rot. Bonds4

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

4-(1,1-difluoro-2-methoxyethyl)-N-methylpyrrolidin-3-amine (PubChem CID 146364731) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 4-(1,1-difluoro-2-methoxyethyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-(1,1-difluoro-2-methoxyethyl)-N-methylpyrrolidin-3-amine
PubChem CID146364731
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name4-(1,1-difluoro-2-methoxyethyl)-N-methylpyrrolidin-3-amine
SMILESCNC1CNCC1C(F)(F)COC
InChIInChI=1S/C8H16F2N2O/c1-11-7-4-12-3-6(7)8(9,10)5-13-2/h6-7,11-12H,3-5H2,1-2H3
InChIKeyXBDYWBCZXRJSBR-UHFFFAOYSA-N
XLogP0.08
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 ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoro-2-methoxyethyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of 4-(1,1-difluoro-2-methoxyethyl)-N-methylpyrrolidin-3-amine (CID 146364731) is 4-(1,1-difluoro-2-methoxyethyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 4-(1,1-difluoro-2-methoxyethyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for 4-(1,1-difluoro-2-methoxyethyl)-N-methylpyrrolidin-3-amine is CNC1CNCC1C(F)(F)COC.
What is the InChIKey of 4-(1,1-difluoro-2-methoxyethyl)-N-methylpyrrolidin-3-amine?
The InChIKey is XBDYWBCZXRJSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-11-7-4-12-3-6(7)8(9,10)5-13-2/h6-7,11-12H,3-5H2,1-2H3.
What are the key properties of 4-(1,1-difluoro-2-methoxyethyl)-N-methylpyrrolidin-3-amine?
4-(1,1-difluoro-2-methoxyethyl)-N-methylpyrrolidin-3-amine has a molecular weight of 194.22 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoro-2-methoxyethyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 146364731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).