6-amino-1-(3,3-difluoropyrrolidin-1-yl)hexan-1-one

C10H18F2N2O — CID 91367577

IUPAC6-amino-1-(3,3-difluoropyrrolidin-1-yl)hexan-1-one
SMILESNCCCCCC(=O)N1CCC(F)(F)C1
InChIInChI=1S/C10H18F2N2O/c11-10(12)5-7-14(8-10)9(15)4-2-1-3-6-13/h1-8,13H2
InChIKeyHZVJYBXVLQLFDT-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.37
Rot. Bonds5

About 6-amino-1-(3,3-difluoropyrrolidin-1-yl)hexan-1-one

6-amino-1-(3,3-difluoropyrrolidin-1-yl)hexan-1-one (PubChem CID 91367577) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 6-amino-1-(3,3-difluoropyrrolidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-1-(3,3-difluoropyrrolidin-1-yl)hexan-1-one
PubChem CID91367577
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name6-amino-1-(3,3-difluoropyrrolidin-1-yl)hexan-1-one
SMILESNCCCCCC(=O)N1CCC(F)(F)C1
InChIInChI=1S/C10H18F2N2O/c11-10(12)5-7-14(8-10)9(15)4-2-1-3-6-13/h1-8,13H2
InChIKeyHZVJYBXVLQLFDT-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(3,3-difluoropyrrolidin-1-yl)hexan-1-one?
The IUPAC name of 6-amino-1-(3,3-difluoropyrrolidin-1-yl)hexan-1-one (CID 91367577) is 6-amino-1-(3,3-difluoropyrrolidin-1-yl)hexan-1-one.
What is the SMILES notation for 6-amino-1-(3,3-difluoropyrrolidin-1-yl)hexan-1-one?
The canonical SMILES for 6-amino-1-(3,3-difluoropyrrolidin-1-yl)hexan-1-one is NCCCCCC(=O)N1CCC(F)(F)C1.
What is the InChIKey of 6-amino-1-(3,3-difluoropyrrolidin-1-yl)hexan-1-one?
The InChIKey is HZVJYBXVLQLFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c11-10(12)5-7-14(8-10)9(15)4-2-1-3-6-13/h1-8,13H2.
What are the key properties of 6-amino-1-(3,3-difluoropyrrolidin-1-yl)hexan-1-one?
6-amino-1-(3,3-difluoropyrrolidin-1-yl)hexan-1-one has a molecular weight of 220.26 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(3,3-difluoropyrrolidin-1-yl)hexan-1-one is sourced from PubChem (CID 91367577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).