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

C9H14F3NO3 — CID 103773766

IUPAC5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide
SMILESCC1CCC(C(=O)NCC(O)C(F)(F)F)O1
InChIInChI=1S/C9H14F3NO3/c1-5-2-3-6(16-5)8(15)13-4-7(14)9(10,11)12/h5-7,14H,2-4H2,1H3,(H,13,15)
InChIKeyHOIZVYFESKZRTD-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.59
Rot. Bonds3

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

5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide (PubChem CID 103773766) 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-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide
PubChem CID103773766
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide
SMILESCC1CCC(C(=O)NCC(O)C(F)(F)F)O1
InChIInChI=1S/C9H14F3NO3/c1-5-2-3-6(16-5)8(15)13-4-7(14)9(10,11)12/h5-7,14H,2-4H2,1H3,(H,13,15)
InChIKeyHOIZVYFESKZRTD-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-5-methyloxolane-2-carboxamide
CID 81324675
N-(2-ethyl-2-hydroxybutyl)-5-methyloxolane-2-carboxamide
CID 81002733
N-(2-amino-2-ethylbutyl)-5-methyloxolane-2-carboxamide
CID 115305753
N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentanecarboxamide
CID 103723234
N-(3,3-dimethyl-2-oxobutyl)-5-methyloxolane-2-carboxamide
CID 81330656
5-methyl-N-(3-methyl-2-oxobutyl)oxolane-2-carboxamide
CID 81330974
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
CID 102953523
(3S)-5-methyl-3-[[(5-methyloxolane-2-carbonyl)amino]methyl]hexanoic acid
CID 81324785
4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093430
3-[(5-methyloxolane-2-carbonyl)amino]-2-phenylpropanoic acid
CID 81324458
4-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexane-1-carboxamide
CID 103795776
3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119744739

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide?
The IUPAC name of 5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide (CID 103773766) is 5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide?
The canonical SMILES for 5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide is CC1CCC(C(=O)NCC(O)C(F)(F)F)O1.
What is the InChIKey of 5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide?
The InChIKey is HOIZVYFESKZRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-5-2-3-6(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 5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide?
5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide has a molecular weight of 241.21 g/mol, XLogP of 0.59, 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-2-carboxamide is sourced from PubChem (CID 103773766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).