3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide

C9H14F3NO3 — CID 107302093

IUPAC3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
SMILESCC1OCCC1(O)CNC(=O)CC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-6-8(15,2-3-16-6)5-13-7(14)4-9(10,11)12/h6,15H,2-5H2,1H3,(H,13,14)
InChIKeyCJKHPYBVLKQPIL-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.59
Rot. Bonds3

About 3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide

3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide (PubChem CID 107302093) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
PubChem CID107302093
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
SMILESCC1OCCC1(O)CNC(=O)CC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-6-8(15,2-3-16-6)5-13-7(14)4-9(10,11)12/h6,15H,2-5H2,1H3,(H,13,14)
InChIKeyCJKHPYBVLKQPIL-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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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide (CID 107302093) is 3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide is CC1OCCC1(O)CNC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide?
The InChIKey is CJKHPYBVLKQPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-6-8(15,2-3-16-6)5-13-7(14)4-9(10,11)12/h6,15H,2-5H2,1H3,(H,13,14).
What are the key properties of 3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide?
3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide 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 3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide is sourced from PubChem (CID 107302093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).