3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

C8H12F3NO3 — CID 103848696

IUPAC3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESO=C(CC(F)(F)F)NCC1(O)CCOC1
InChIInChI=1S/C8H12F3NO3/c9-8(10,11)3-6(13)12-4-7(14)1-2-15-5-7/h14H,1-5H2,(H,12,13)
InChIKeyKFSJEYUPKWJCCY-UHFFFAOYSA-N
MW227.18 g/mol
LogP0.21
Rot. Bonds3

About 3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (PubChem CID 103848696) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
PubChem CID103848696
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESO=C(CC(F)(F)F)NCC1(O)CCOC1
InChIInChI=1S/C8H12F3NO3/c9-8(10,11)3-6(13)12-4-7(14)1-2-15-5-7/h14H,1-5H2,(H,12,13)
InChIKeyKFSJEYUPKWJCCY-UHFFFAOYSA-N
XLogP0.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 50.21
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-hydroxyoxolan-3-yl)methyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (CID 103848696) is 3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide is O=C(CC(F)(F)F)NCC1(O)CCOC1.
What is the InChIKey of 3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The InChIKey is KFSJEYUPKWJCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c9-8(10,11)3-6(13)12-4-7(14)1-2-15-5-7/h14H,1-5H2,(H,12,13).
What are the key properties of 3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide has a molecular weight of 227.18 g/mol, XLogP of 0.21, 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-hydroxyoxolan-3-yl)methyl]propanamide is sourced from PubChem (CID 103848696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).