N-(3,3-difluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C8H11F2NO4 — CID 103770062

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCC(O)C(F)F)C1=COCCO1
InChIInChI=1S/C8H11F2NO4/c9-7(10)5(12)3-11-8(13)6-4-14-1-2-15-6/h4-5,7,12H,1-3H2,(H,11,13)
InChIKeyWWPCBZQAIYFPCY-UHFFFAOYSA-N
MW223.17 g/mol
LogP-0.38
Rot. Bonds4

About N-(3,3-difluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(3,3-difluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 103770062) has the molecular formula C8H11F2NO4 and a molecular weight of 223.17 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID103770062
Molecular FormulaC8H11F2NO4
Molecular Weight223.17 g/mol
Exact Mass223.07
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCC(O)C(F)F)C1=COCCO1
InChIInChI=1S/C8H11F2NO4/c9-7(10)5(12)3-11-8(13)6-4-14-1-2-15-6/h4-5,7,12H,1-3H2,(H,11,13)
InChIKeyWWPCBZQAIYFPCY-UHFFFAOYSA-N
XLogP-0.38
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 103770062) is N-(3,3-difluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(NCC(O)C(F)F)C1=COCCO1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is WWPCBZQAIYFPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO4/c9-7(10)5(12)3-11-8(13)6-4-14-1-2-15-6/h4-5,7,12H,1-3H2,(H,11,13).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 223.17 g/mol, XLogP of -0.38, 4 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)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 103770062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).