3-amino-1-(3,3-difluoropyrrolidin-1-yl)-2,2-difluoropropan-1-one

C7H10F4N2O — CID 130706008

IUPAC3-amino-1-(3,3-difluoropyrrolidin-1-yl)-2,2-difluoropropan-1-one
SMILESNCC(F)(F)C(=O)N1CCC(F)(F)C1
InChIInChI=1S/C7H10F4N2O/c8-6(9)1-2-13(4-6)5(14)7(10,11)3-12/h1-4,12H2
InChIKeyZFQHIYYXBXIXFV-UHFFFAOYSA-N
MW214.16 g/mol
LogP0.45
Rot. Bonds2

About 3-amino-1-(3,3-difluoropyrrolidin-1-yl)-2,2-difluoropropan-1-one

3-amino-1-(3,3-difluoropyrrolidin-1-yl)-2,2-difluoropropan-1-one (PubChem CID 130706008) has the molecular formula C7H10F4N2O and a molecular weight of 214.16 g/mol. Its IUPAC name is 3-amino-1-(3,3-difluoropyrrolidin-1-yl)-2,2-difluoropropan-1-one.

Molecular Properties

Compound Name3-amino-1-(3,3-difluoropyrrolidin-1-yl)-2,2-difluoropropan-1-one
PubChem CID130706008
Molecular FormulaC7H10F4N2O
Molecular Weight214.16 g/mol
Exact Mass214.07
IUPAC Name3-amino-1-(3,3-difluoropyrrolidin-1-yl)-2,2-difluoropropan-1-one
SMILESNCC(F)(F)C(=O)N1CCC(F)(F)C1
InChIInChI=1S/C7H10F4N2O/c8-6(9)1-2-13(4-6)5(14)7(10,11)3-12/h1-4,12H2
InChIKeyZFQHIYYXBXIXFV-UHFFFAOYSA-N
XLogP0.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,3-difluoropyrrolidin-1-yl)-2,2-difluoropropan-1-one?
The IUPAC name of 3-amino-1-(3,3-difluoropyrrolidin-1-yl)-2,2-difluoropropan-1-one (CID 130706008) is 3-amino-1-(3,3-difluoropyrrolidin-1-yl)-2,2-difluoropropan-1-one.
What is the SMILES notation for 3-amino-1-(3,3-difluoropyrrolidin-1-yl)-2,2-difluoropropan-1-one?
The canonical SMILES for 3-amino-1-(3,3-difluoropyrrolidin-1-yl)-2,2-difluoropropan-1-one is NCC(F)(F)C(=O)N1CCC(F)(F)C1.
What is the InChIKey of 3-amino-1-(3,3-difluoropyrrolidin-1-yl)-2,2-difluoropropan-1-one?
The InChIKey is ZFQHIYYXBXIXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4N2O/c8-6(9)1-2-13(4-6)5(14)7(10,11)3-12/h1-4,12H2.
What are the key properties of 3-amino-1-(3,3-difluoropyrrolidin-1-yl)-2,2-difluoropropan-1-one?
3-amino-1-(3,3-difluoropyrrolidin-1-yl)-2,2-difluoropropan-1-one has a molecular weight of 214.16 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,3-difluoropyrrolidin-1-yl)-2,2-difluoropropan-1-one is sourced from PubChem (CID 130706008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).