5-(3,3-difluoropropylamino)-1-pyrrolidin-1-ylhexan-1-one

C13H24F2N2O — CID 178108596

IUPAC5-(3,3-difluoropropylamino)-1-pyrrolidin-1-ylhexan-1-one
SMILESCC(CCCC(=O)N1CCCC1)NCCC(F)F
InChIInChI=1S/C13H24F2N2O/c1-11(16-8-7-12(14)15)5-4-6-13(18)17-9-2-3-10-17/h11-12,16H,2-10H2,1H3
InChIKeyUAYWTHHCOMALJK-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.41
Rot. Bonds8

About 5-(3,3-difluoropropylamino)-1-pyrrolidin-1-ylhexan-1-one

5-(3,3-difluoropropylamino)-1-pyrrolidin-1-ylhexan-1-one (PubChem CID 178108596) has the molecular formula C13H24F2N2O and a molecular weight of 262.34 g/mol. Its IUPAC name is 5-(3,3-difluoropropylamino)-1-pyrrolidin-1-ylhexan-1-one.

Molecular Properties

Compound Name5-(3,3-difluoropropylamino)-1-pyrrolidin-1-ylhexan-1-one
PubChem CID178108596
Molecular FormulaC13H24F2N2O
Molecular Weight262.34 g/mol
Exact Mass262.19
IUPAC Name5-(3,3-difluoropropylamino)-1-pyrrolidin-1-ylhexan-1-one
SMILESCC(CCCC(=O)N1CCCC1)NCCC(F)F
InChIInChI=1S/C13H24F2N2O/c1-11(16-8-7-12(14)15)5-4-6-13(18)17-9-2-3-10-17/h11-12,16H,2-10H2,1H3
InChIKeyUAYWTHHCOMALJK-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoropropylamino)-1-pyrrolidin-1-ylhexan-1-one?
The IUPAC name of 5-(3,3-difluoropropylamino)-1-pyrrolidin-1-ylhexan-1-one (CID 178108596) is 5-(3,3-difluoropropylamino)-1-pyrrolidin-1-ylhexan-1-one.
What is the SMILES notation for 5-(3,3-difluoropropylamino)-1-pyrrolidin-1-ylhexan-1-one?
The canonical SMILES for 5-(3,3-difluoropropylamino)-1-pyrrolidin-1-ylhexan-1-one is CC(CCCC(=O)N1CCCC1)NCCC(F)F.
What is the InChIKey of 5-(3,3-difluoropropylamino)-1-pyrrolidin-1-ylhexan-1-one?
The InChIKey is UAYWTHHCOMALJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O/c1-11(16-8-7-12(14)15)5-4-6-13(18)17-9-2-3-10-17/h11-12,16H,2-10H2,1H3.
What are the key properties of 5-(3,3-difluoropropylamino)-1-pyrrolidin-1-ylhexan-1-one?
5-(3,3-difluoropropylamino)-1-pyrrolidin-1-ylhexan-1-one has a molecular weight of 262.34 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoropropylamino)-1-pyrrolidin-1-ylhexan-1-one is sourced from PubChem (CID 178108596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).