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

C9H15F2NO3 — CID 103770033

IUPACN-(3,3-difluoro-2-hydroxypropyl)oxane-3-carboxamide
SMILESO=C(NCC(O)C(F)F)C1CCCOC1
InChIInChI=1S/C9H15F2NO3/c10-8(11)7(13)4-12-9(14)6-2-1-3-15-5-6/h6-8,13H,1-5H2,(H,12,14)
InChIKeyIVDWDUOYICWTNL-UHFFFAOYSA-N
MW223.22 g/mol
LogP0.16
Rot. Bonds4

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

N-(3,3-difluoro-2-hydroxypropyl)oxane-3-carboxamide (PubChem CID 103770033) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)oxane-3-carboxamide
PubChem CID103770033
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)oxane-3-carboxamide
SMILESO=C(NCC(O)C(F)F)C1CCCOC1
InChIInChI=1S/C9H15F2NO3/c10-8(11)7(13)4-12-9(14)6-2-1-3-15-5-6/h6-8,13H,1-5H2,(H,12,14)
InChIKeyIVDWDUOYICWTNL-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-(3,3-difluoro-2-hydroxypropyl)oxane-3-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)oxane-3-carboxamide (CID 103770033) is N-(3,3-difluoro-2-hydroxypropyl)oxane-3-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)oxane-3-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)oxane-3-carboxamide is O=C(NCC(O)C(F)F)C1CCCOC1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)oxane-3-carboxamide?
The InChIKey is IVDWDUOYICWTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c10-8(11)7(13)4-12-9(14)6-2-1-3-15-5-6/h6-8,13H,1-5H2,(H,12,14).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)oxane-3-carboxamide?
N-(3,3-difluoro-2-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-(3,3-difluoro-2-hydroxypropyl)oxane-3-carboxamide is sourced from PubChem (CID 103770033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).