2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one

C7H10F4N2O — CID 10443214

IUPAC2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one
SMILESCC(N)C(=O)N1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C7H10F4N2O/c1-4(12)5(14)13-2-6(8,9)7(10,11)3-13/h4H,2-3,12H2,1H3
InChIKeyVLHCODZJFPRYCX-UHFFFAOYSA-N
MW214.16 g/mol
LogP0.45
Rot. Bonds1

About 2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one

2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one (PubChem CID 10443214) has the molecular formula C7H10F4N2O and a molecular weight of 214.16 g/mol. Its IUPAC name is 2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one
PubChem CID10443214
Molecular FormulaC7H10F4N2O
Molecular Weight214.16 g/mol
Exact Mass214.07
IUPAC Name2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one
SMILESCC(N)C(=O)N1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C7H10F4N2O/c1-4(12)5(14)13-2-6(8,9)7(10,11)3-13/h4H,2-3,12H2,1H3
InChIKeyVLHCODZJFPRYCX-UHFFFAOYSA-N
XLogP0.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one (CID 10443214) is 2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one is CC(N)C(=O)N1CC(F)(F)C(F)(F)C1.
What is the InChIKey of 2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one?
The InChIKey is VLHCODZJFPRYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4N2O/c1-4(12)5(14)13-2-6(8,9)7(10,11)3-13/h4H,2-3,12H2,1H3.
What are the key properties of 2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one?
2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one has a molecular weight of 214.16 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 10443214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).