N-(3,3-difluoro-2-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide

C11H19F2NO3 — CID 114094018

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCC(O)C(F)F)C1C
InChIInChI=1S/C11H19F2NO3/c1-5-6(2)17-7(3)9(5)11(16)14-4-8(15)10(12)13/h5-10,15H,4H2,1-3H3,(H,14,16)
InChIKeyDDOFQTQBKPQVIE-UHFFFAOYSA-N
MW251.27 g/mol
LogP0.79
Rot. Bonds4

About N-(3,3-difluoro-2-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide

N-(3,3-difluoro-2-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 114094018) has the molecular formula C11H19F2NO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID114094018
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCC(O)C(F)F)C1C
InChIInChI=1S/C11H19F2NO3/c1-5-6(2)17-7(3)9(5)11(16)14-4-8(15)10(12)13/h5-10,15H,4H2,1-3H3,(H,14,16)
InChIKeyDDOFQTQBKPQVIE-UHFFFAOYSA-N
XLogP0.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 50.79
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)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide (CID 114094018) is N-(3,3-difluoro-2-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)NCC(O)C(F)F)C1C.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is DDOFQTQBKPQVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO3/c1-5-6(2)17-7(3)9(5)11(16)14-4-8(15)10(12)13/h5-10,15H,4H2,1-3H3,(H,14,16).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 251.27 g/mol, XLogP of 0.79, 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)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 114094018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).