2,2,2-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide

C7H10F3NO3 — CID 103849023

IUPAC2,2,2-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
SMILESO=C(NCC1(O)CCOC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c8-7(9,10)5(12)11-3-6(13)1-2-14-4-6/h13H,1-4H2,(H,11,12)
InChIKeyXGJQGYVMMPWJKR-UHFFFAOYSA-N
MW213.15 g/mol
LogP-0.18
Rot. Bonds2

About 2,2,2-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide

2,2,2-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide (PubChem CID 103849023) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
PubChem CID103849023
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name2,2,2-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
SMILESO=C(NCC1(O)CCOC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c8-7(9,10)5(12)11-3-6(13)1-2-14-4-6/h13H,1-4H2,(H,11,12)
InChIKeyXGJQGYVMMPWJKR-UHFFFAOYSA-N
XLogP-0.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide (CID 103849023) is 2,2,2-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide is O=C(NCC1(O)CCOC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide?
The InChIKey is XGJQGYVMMPWJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c8-7(9,10)5(12)11-3-6(13)1-2-14-4-6/h13H,1-4H2,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide has a molecular weight of 213.15 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide is sourced from PubChem (CID 103849023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).