1-(4,4-difluoro-1-methylpyrrolidin-3-yl)ethanamine

C7H14F2N2 — CID 20763629

IUPAC1-(4,4-difluoro-1-methylpyrrolidin-3-yl)ethanamine
SMILESCC(N)C1CN(C)CC1(F)F
InChIInChI=1S/C7H14F2N2/c1-5(10)6-3-11(2)4-7(6,8)9/h5-6H,3-4,10H2,1-2H3
InChIKeyNEPNNTQYFFAGBY-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.53
Rot. Bonds1

About 1-(4,4-difluoro-1-methylpyrrolidin-3-yl)ethanamine

1-(4,4-difluoro-1-methylpyrrolidin-3-yl)ethanamine (PubChem CID 20763629) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1-(4,4-difluoro-1-methylpyrrolidin-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4,4-difluoro-1-methylpyrrolidin-3-yl)ethanamine
PubChem CID20763629
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name1-(4,4-difluoro-1-methylpyrrolidin-3-yl)ethanamine
SMILESCC(N)C1CN(C)CC1(F)F
InChIInChI=1S/C7H14F2N2/c1-5(10)6-3-11(2)4-7(6,8)9/h5-6H,3-4,10H2,1-2H3
InChIKeyNEPNNTQYFFAGBY-UHFFFAOYSA-N
XLogP0.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoro-1-methylpyrrolidin-3-yl)ethanamine?
The IUPAC name of 1-(4,4-difluoro-1-methylpyrrolidin-3-yl)ethanamine (CID 20763629) is 1-(4,4-difluoro-1-methylpyrrolidin-3-yl)ethanamine.
What is the SMILES notation for 1-(4,4-difluoro-1-methylpyrrolidin-3-yl)ethanamine?
The canonical SMILES for 1-(4,4-difluoro-1-methylpyrrolidin-3-yl)ethanamine is CC(N)C1CN(C)CC1(F)F.
What is the InChIKey of 1-(4,4-difluoro-1-methylpyrrolidin-3-yl)ethanamine?
The InChIKey is NEPNNTQYFFAGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2/c1-5(10)6-3-11(2)4-7(6,8)9/h5-6H,3-4,10H2,1-2H3.
What are the key properties of 1-(4,4-difluoro-1-methylpyrrolidin-3-yl)ethanamine?
1-(4,4-difluoro-1-methylpyrrolidin-3-yl)ethanamine has a molecular weight of 164.20 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoro-1-methylpyrrolidin-3-yl)ethanamine is sourced from PubChem (CID 20763629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).