5-(3,3-difluoropyrrolidin-1-yl)-2-formamidohexanamide

C11H19F2N3O2 — CID 175824324

IUPAC5-(3,3-difluoropyrrolidin-1-yl)-2-formamidohexanamide
SMILESCC(CCC(NC=O)C(N)=O)N1CCC(F)(F)C1
InChIInChI=1S/C11H19F2N3O2/c1-8(16-5-4-11(12,13)6-16)2-3-9(10(14)18)15-7-17/h7-9H,2-6H2,1H3,(H2,14,18)(H,15,17)
InChIKeyGOASMGKWLNIIFL-UHFFFAOYSA-N
MW263.29 g/mol
LogP0.10
Rot. Bonds7

About 5-(3,3-difluoropyrrolidin-1-yl)-2-formamidohexanamide

5-(3,3-difluoropyrrolidin-1-yl)-2-formamidohexanamide (PubChem CID 175824324) has the molecular formula C11H19F2N3O2 and a molecular weight of 263.29 g/mol. Its IUPAC name is 5-(3,3-difluoropyrrolidin-1-yl)-2-formamidohexanamide.

Molecular Properties

Compound Name5-(3,3-difluoropyrrolidin-1-yl)-2-formamidohexanamide
PubChem CID175824324
Molecular FormulaC11H19F2N3O2
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC Name5-(3,3-difluoropyrrolidin-1-yl)-2-formamidohexanamide
SMILESCC(CCC(NC=O)C(N)=O)N1CCC(F)(F)C1
InChIInChI=1S/C11H19F2N3O2/c1-8(16-5-4-11(12,13)6-16)2-3-9(10(14)18)15-7-17/h7-9H,2-6H2,1H3,(H2,14,18)(H,15,17)
InChIKeyGOASMGKWLNIIFL-UHFFFAOYSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoropyrrolidin-1-yl)-2-formamidohexanamide?
The IUPAC name of 5-(3,3-difluoropyrrolidin-1-yl)-2-formamidohexanamide (CID 175824324) is 5-(3,3-difluoropyrrolidin-1-yl)-2-formamidohexanamide.
What is the SMILES notation for 5-(3,3-difluoropyrrolidin-1-yl)-2-formamidohexanamide?
The canonical SMILES for 5-(3,3-difluoropyrrolidin-1-yl)-2-formamidohexanamide is CC(CCC(NC=O)C(N)=O)N1CCC(F)(F)C1.
What is the InChIKey of 5-(3,3-difluoropyrrolidin-1-yl)-2-formamidohexanamide?
The InChIKey is GOASMGKWLNIIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3O2/c1-8(16-5-4-11(12,13)6-16)2-3-9(10(14)18)15-7-17/h7-9H,2-6H2,1H3,(H2,14,18)(H,15,17).
What are the key properties of 5-(3,3-difluoropyrrolidin-1-yl)-2-formamidohexanamide?
5-(3,3-difluoropyrrolidin-1-yl)-2-formamidohexanamide has a molecular weight of 263.29 g/mol, XLogP of 0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoropyrrolidin-1-yl)-2-formamidohexanamide is sourced from PubChem (CID 175824324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).