N-(2,2-difluoro-3-hydroxypropyl)oxane-3-carboxamide

C9H15F2NO3 — CID 104857173

IUPACN-(2,2-difluoro-3-hydroxypropyl)oxane-3-carboxamide
SMILESO=C(NCC(F)(F)CO)C1CCCOC1
InChIInChI=1S/C9H15F2NO3/c10-9(11,6-13)5-12-8(14)7-2-1-3-15-4-7/h7,13H,1-6H2,(H,12,14)
InChIKeyZGOAEDKKBYKXKJ-UHFFFAOYSA-N
MW223.22 g/mol
LogP0.16
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)oxane-3-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)oxane-3-carboxamide (PubChem CID 104857173) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)oxane-3-carboxamide
PubChem CID104857173
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)oxane-3-carboxamide
SMILESO=C(NCC(F)(F)CO)C1CCCOC1
InChIInChI=1S/C9H15F2NO3/c10-9(11,6-13)5-12-8(14)7-2-1-3-15-4-7/h7,13H,1-6H2,(H,12,14)
InChIKeyZGOAEDKKBYKXKJ-UHFFFAOYSA-N
XLogP0.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)oxane-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)oxane-3-carboxamide (CID 104857173) is N-(2,2-difluoro-3-hydroxypropyl)oxane-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)oxane-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)oxane-3-carboxamide is O=C(NCC(F)(F)CO)C1CCCOC1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)oxane-3-carboxamide?
The InChIKey is ZGOAEDKKBYKXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c10-9(11,6-13)5-12-8(14)7-2-1-3-15-4-7/h7,13H,1-6H2,(H,12,14).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)oxane-3-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)oxane-3-carboxamide has a molecular weight of 223.22 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)oxane-3-carboxamide is sourced from PubChem (CID 104857173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).