4-amino-5,5-difluoro-N-propylpentanamide

C8H16F2N2O — CID 20543326

IUPAC4-amino-5,5-difluoro-N-propylpentanamide
SMILESCCCNC(=O)CCC(N)C(F)F
InChIInChI=1S/C8H16F2N2O/c1-2-5-12-7(13)4-3-6(11)8(9)10/h6,8H,2-5,11H2,1H3,(H,12,13)
InChIKeyNPSWLAJRWNPBQM-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.89
Rot. Bonds6

About 4-amino-5,5-difluoro-N-propylpentanamide

4-amino-5,5-difluoro-N-propylpentanamide (PubChem CID 20543326) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 4-amino-5,5-difluoro-N-propylpentanamide.

Molecular Properties

Compound Name4-amino-5,5-difluoro-N-propylpentanamide
PubChem CID20543326
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name4-amino-5,5-difluoro-N-propylpentanamide
SMILESCCCNC(=O)CCC(N)C(F)F
InChIInChI=1S/C8H16F2N2O/c1-2-5-12-7(13)4-3-6(11)8(9)10/h6,8H,2-5,11H2,1H3,(H,12,13)
InChIKeyNPSWLAJRWNPBQM-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5,5-difluoro-N-propylpentanamide?
The IUPAC name of 4-amino-5,5-difluoro-N-propylpentanamide (CID 20543326) is 4-amino-5,5-difluoro-N-propylpentanamide.
What is the SMILES notation for 4-amino-5,5-difluoro-N-propylpentanamide?
The canonical SMILES for 4-amino-5,5-difluoro-N-propylpentanamide is CCCNC(=O)CCC(N)C(F)F.
What is the InChIKey of 4-amino-5,5-difluoro-N-propylpentanamide?
The InChIKey is NPSWLAJRWNPBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-2-5-12-7(13)4-3-6(11)8(9)10/h6,8H,2-5,11H2,1H3,(H,12,13).
What are the key properties of 4-amino-5,5-difluoro-N-propylpentanamide?
4-amino-5,5-difluoro-N-propylpentanamide has a molecular weight of 194.22 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,5-difluoro-N-propylpentanamide is sourced from PubChem (CID 20543326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).