N-(3,3-difluoro-2-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C10H14F2N2O4 — CID 113258580

IUPACN-(3,3-difluoro-2-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCC(O)C(F)F
InChIInChI=1S/C10H14F2N2O4/c11-10(12)6(15)5-13-7(16)3-4-14-8(17)1-2-9(14)18/h6,10,15H,1-5H2,(H,13,16)
InChIKeySPETYQVDPCUNME-UHFFFAOYSA-N
MW264.23 g/mol
LogP-0.73
Rot. Bonds6

About N-(3,3-difluoro-2-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-(3,3-difluoro-2-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 113258580) has the molecular formula C10H14F2N2O4 and a molecular weight of 264.23 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID113258580
Molecular FormulaC10H14F2N2O4
Molecular Weight264.23 g/mol
Exact Mass264.09
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCC(O)C(F)F
InChIInChI=1S/C10H14F2N2O4/c11-10(12)6(15)5-13-7(16)3-4-14-8(17)1-2-9(14)18/h6,10,15H,1-5H2,(H,13,16)
InChIKeySPETYQVDPCUNME-UHFFFAOYSA-N
XLogP-0.73
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 113258580) is N-(3,3-difluoro-2-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide is O=C(CCN1C(=O)CCC1=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is SPETYQVDPCUNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O4/c11-10(12)6(15)5-13-7(16)3-4-14-8(17)1-2-9(14)18/h6,10,15H,1-5H2,(H,13,16).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-(3,3-difluoro-2-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 264.23 g/mol, XLogP of -0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 113258580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).