N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

C10H16F3NO3 — CID 102677269

IUPACN-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCC1CC(C(=O)N(CCO)CC(F)(F)F)CO1
InChIInChI=1S/C10H16F3NO3/c1-7-4-8(5-17-7)9(16)14(2-3-15)6-10(11,12)13/h7-8,15H,2-6H2,1H3
InChIKeyLGEGTDBDATXYNE-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.79
Rot. Bonds4

About N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 102677269) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID102677269
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC NameN-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCC1CC(C(=O)N(CCO)CC(F)(F)F)CO1
InChIInChI=1S/C10H16F3NO3/c1-7-4-8(5-17-7)9(16)14(2-3-15)6-10(11,12)13/h7-8,15H,2-6H2,1H3
InChIKeyLGEGTDBDATXYNE-UHFFFAOYSA-N
XLogP0.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide
CID 86790736
2-[2,2,2-Trifluoroethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]acetic acid
CID 79257895
2,2-Difluoro-3-hydroxy-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 86073344
(2S,3S)-N,2-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]oxolane-3-carboxamide
CID 99854778
(2S,3R)-N,2-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]oxolane-3-carboxamide
CID 99854780
5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide
CID 102677252
N-(3,3-difluoro-2-hydroxypropyl)-5-methyloxolane-3-carboxamide
CID 102677258
N-(2,2-difluoro-3-hydroxypropyl)-5-methyloxolane-3-carboxamide
CID 102677286
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 103857568
2,4,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide
CID 105648765
N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)oxolane-3-carboxamide
CID 105727179
2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 105727181

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 102677269) is N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is CC1CC(C(=O)N(CCO)CC(F)(F)F)CO1.
What is the InChIKey of N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is LGEGTDBDATXYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-7-4-8(5-17-7)9(16)14(2-3-15)6-10(11,12)13/h7-8,15H,2-6H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 255.24 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 102677269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).