N-(3,3-difluoropropyl)-5-ethoxy-4-oxopentanamide

C10H17F2NO3 — CID 178078159

IUPACN-(3,3-difluoropropyl)-5-ethoxy-4-oxopentanamide
SMILESCCOCC(=O)CCC(=O)NCCC(F)F
InChIInChI=1S/C10H17F2NO3/c1-2-16-7-8(14)3-4-10(15)13-6-5-9(11)12/h9H,2-7H2,1H3,(H,13,15)
InChIKeyIUGURJUAKDNJEW-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.14
Rot. Bonds9

About N-(3,3-difluoropropyl)-5-ethoxy-4-oxopentanamide

N-(3,3-difluoropropyl)-5-ethoxy-4-oxopentanamide (PubChem CID 178078159) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-(3,3-difluoropropyl)-5-ethoxy-4-oxopentanamide.

Molecular Properties

Compound NameN-(3,3-difluoropropyl)-5-ethoxy-4-oxopentanamide
PubChem CID178078159
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC NameN-(3,3-difluoropropyl)-5-ethoxy-4-oxopentanamide
SMILESCCOCC(=O)CCC(=O)NCCC(F)F
InChIInChI=1S/C10H17F2NO3/c1-2-16-7-8(14)3-4-10(15)13-6-5-9(11)12/h9H,2-7H2,1H3,(H,13,15)
InChIKeyIUGURJUAKDNJEW-UHFFFAOYSA-N
XLogP1.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropropyl)-5-ethoxy-4-oxopentanamide?
The IUPAC name of N-(3,3-difluoropropyl)-5-ethoxy-4-oxopentanamide (CID 178078159) is N-(3,3-difluoropropyl)-5-ethoxy-4-oxopentanamide.
What is the SMILES notation for N-(3,3-difluoropropyl)-5-ethoxy-4-oxopentanamide?
The canonical SMILES for N-(3,3-difluoropropyl)-5-ethoxy-4-oxopentanamide is CCOCC(=O)CCC(=O)NCCC(F)F.
What is the InChIKey of N-(3,3-difluoropropyl)-5-ethoxy-4-oxopentanamide?
The InChIKey is IUGURJUAKDNJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-2-16-7-8(14)3-4-10(15)13-6-5-9(11)12/h9H,2-7H2,1H3,(H,13,15).
What are the key properties of N-(3,3-difluoropropyl)-5-ethoxy-4-oxopentanamide?
N-(3,3-difluoropropyl)-5-ethoxy-4-oxopentanamide has a molecular weight of 237.25 g/mol, XLogP of 1.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropropyl)-5-ethoxy-4-oxopentanamide is sourced from PubChem (CID 178078159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).