3-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-2,2-difluoropropan-1-one;ethane

C12H24F2N2O — CID 144942273

IUPAC3-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-2,2-difluoropropan-1-one;ethane
SMILESCC.CC[C@@]1(C)CCN(C(=O)C(F)(F)CN)C1
InChIInChI=1S/C10H18F2N2O.C2H6/c1-3-9(2)4-5-14(7-9)8(15)10(11,12)6-13;1-2/h3-7,13H2,1-2H3;1-2H3/t9-;/m0./s1
InChIKeyVHYQOPWMYGBBOS-FVGYRXGTSA-N
MW250.33 g/mol
LogP2.26
Rot. Bonds3

About 3-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-2,2-difluoropropan-1-one;ethane

3-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-2,2-difluoropropan-1-one;ethane (PubChem CID 144942273) has the molecular formula C12H24F2N2O and a molecular weight of 250.33 g/mol. Its IUPAC name is 3-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-2,2-difluoropropan-1-one;ethane.

Molecular Properties

Compound Name3-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-2,2-difluoropropan-1-one;ethane
PubChem CID144942273
Molecular FormulaC12H24F2N2O
Molecular Weight250.33 g/mol
Exact Mass250.19
IUPAC Name3-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-2,2-difluoropropan-1-one;ethane
SMILESCC.CC[C@@]1(C)CCN(C(=O)C(F)(F)CN)C1
InChIInChI=1S/C10H18F2N2O.C2H6/c1-3-9(2)4-5-14(7-9)8(15)10(11,12)6-13;1-2/h3-7,13H2,1-2H3;1-2H3/t9-;/m0./s1
InChIKeyVHYQOPWMYGBBOS-FVGYRXGTSA-N
XLogP2.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-2,2-difluoropropan-1-one;ethane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-2,2-difluoropropan-1-one;ethane?
The IUPAC name of 3-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-2,2-difluoropropan-1-one;ethane (CID 144942273) is 3-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-2,2-difluoropropan-1-one;ethane.
What is the SMILES notation for 3-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-2,2-difluoropropan-1-one;ethane?
The canonical SMILES for 3-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-2,2-difluoropropan-1-one;ethane is CC.CC[C@@]1(C)CCN(C(=O)C(F)(F)CN)C1.
What is the InChIKey of 3-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-2,2-difluoropropan-1-one;ethane?
The InChIKey is VHYQOPWMYGBBOS-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H18F2N2O.C2H6/c1-3-9(2)4-5-14(7-9)8(15)10(11,12)6-13;1-2/h3-7,13H2,1-2H3;1-2H3/t9-;/m0./s1.
What are the key properties of 3-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-2,2-difluoropropan-1-one;ethane?
3-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-2,2-difluoropropan-1-one;ethane has a molecular weight of 250.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-2,2-difluoropropan-1-one;ethane is sourced from PubChem (CID 144942273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).