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

C9H15F2NO3 — CID 103801132

IUPACN-(3,3-difluoro-2-hydroxypropyl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NCC(O)C(F)F
InChIInChI=1S/C9H15F2NO3/c1-5-2-3-15-7(5)9(14)12-4-6(13)8(10)11/h5-8,13H,2-4H2,1H3,(H,12,14)
InChIKeyGULWBJLWRCBLAF-UHFFFAOYSA-N
MW223.22 g/mol
LogP0.15
Rot. Bonds4

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

N-(3,3-difluoro-2-hydroxypropyl)-3-methyloxolane-2-carboxamide (PubChem CID 103801132) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-3-methyloxolane-2-carboxamide
PubChem CID103801132
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NCC(O)C(F)F
InChIInChI=1S/C9H15F2NO3/c1-5-2-3-15-7(5)9(14)12-4-6(13)8(10)11/h5-8,13H,2-4H2,1H3,(H,12,14)
InChIKeyGULWBJLWRCBLAF-UHFFFAOYSA-N
XLogP0.15
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 ≤ 50.15
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)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-methyloxolane-2-carboxamide (CID 103801132) is N-(3,3-difluoro-2-hydroxypropyl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-3-methyloxolane-2-carboxamide is CC1CCOC1C(=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-3-methyloxolane-2-carboxamide?
The InChIKey is GULWBJLWRCBLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c1-5-2-3-15-7(5)9(14)12-4-6(13)8(10)11/h5-8,13H,2-4H2,1H3,(H,12,14).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-3-methyloxolane-2-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-3-methyloxolane-2-carboxamide has a molecular weight of 223.22 g/mol, XLogP of 0.15, 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)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 103801132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).