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

C9H14F3NO3 — CID 102677252

IUPAC5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide
SMILESCC1CC(C(=O)NCC(O)C(F)(F)F)CO1
InChIInChI=1S/C9H14F3NO3/c1-5-2-6(4-16-5)8(15)13-3-7(14)9(10,11)12/h5-7,14H,2-4H2,1H3,(H,13,15)
InChIKeySZVGLRNTXCNNDP-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.45
Rot. Bonds3

About 5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide

5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide (PubChem CID 102677252) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide
PubChem CID102677252
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide
SMILESCC1CC(C(=O)NCC(O)C(F)(F)F)CO1
InChIInChI=1S/C9H14F3NO3/c1-5-2-6(4-16-5)8(15)13-3-7(14)9(10,11)12/h5-7,14H,2-4H2,1H3,(H,13,15)
InChIKeySZVGLRNTXCNNDP-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-(4-hydroxypentan-2-yl)-5-methyloxolane-3-carboxamide
CID 114826255
N-(3,3-difluoro-2-hydroxypropyl)-5-methyloxolane-3-carboxamide
CID 102677258
N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 102677269
N-(2,2-difluoro-3-hydroxypropyl)-5-methyloxolane-3-carboxamide
CID 102677286
N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide
CID 103726200
N-(3,3,3-trifluoro-2-hydroxypropyl)oxane-3-carboxamide
CID 103726382
2-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726418
N-(3,3-difluoro-2-hydroxypropyl)oxolane-3-carboxamide
CID 103769816
N-(3,3-difluoro-2-hydroxypropyl)oxane-3-carboxamide
CID 103770033
N-(3,3-difluoro-2-hydroxypropyl)-2-(oxolan-2-yl)acetamide
CID 103770267
N-(2-hydroxy-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103770915
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide
CID 103894196

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide?
The IUPAC name of 5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide (CID 102677252) is 5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide?
The canonical SMILES for 5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide is CC1CC(C(=O)NCC(O)C(F)(F)F)CO1.
What is the InChIKey of 5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide?
The InChIKey is SZVGLRNTXCNNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-5-2-6(4-16-5)8(15)13-3-7(14)9(10,11)12/h5-7,14H,2-4H2,1H3,(H,13,15).
What are the key properties of 5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide?
5-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 5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide is sourced from PubChem (CID 102677252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).