2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide

C9H14F3NO3 — CID 103894196

IUPAC2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-5-6(2-3-16-5)8(15)13-4-7(14)9(10,11)12/h5-7,14H,2-4H2,1H3,(H,13,15)
InChIKeyVYGDTPXYAZEDGF-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.45
Rot. Bonds3

About 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide

2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide (PubChem CID 103894196) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide
PubChem CID103894196
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-5-6(2-3-16-5)8(15)13-4-7(14)9(10,11)12/h5-7,14H,2-4H2,1H3,(H,13,15)
InChIKeyVYGDTPXYAZEDGF-UHFFFAOYSA-N
XLogP0.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
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
N-(2-ethyl-4-hydroxybutyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 80308759
N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide
CID 86850738
(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
3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide
CID 103525105
N-(3,3,3-trifluoro-2-hydroxypropyl)oxane-4-carboxamide
CID 103723311
N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide
CID 103726200
4-methoxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 103747790

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide?
The IUPAC name of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide (CID 103894196) is 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide?
The canonical SMILES for 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide is CC1OCCC1C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide?
The InChIKey is VYGDTPXYAZEDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-5-6(2-3-16-5)8(15)13-4-7(14)9(10,11)12/h5-7,14H,2-4H2,1H3,(H,13,15).
What are the key properties of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide?
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide has a molecular weight of 241.21 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide is sourced from PubChem (CID 103894196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).