2-(4-hydroxyoxan-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C10H16F3NO3 — CID 175786216

IUPAC2-(4-hydroxyoxan-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CC1(O)CCOCC1
InChIInChI=1S/C10H16F3NO3/c1-14(7-10(11,12)13)8(15)6-9(16)2-4-17-5-3-9/h16H,2-7H2,1H3
InChIKeyAHLSSOYGRXJXFX-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.94
Rot. Bonds3

About 2-(4-hydroxyoxan-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-(4-hydroxyoxan-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 175786216) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-(4-hydroxyoxan-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxyoxan-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID175786216
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2-(4-hydroxyoxan-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CC1(O)CCOCC1
InChIInChI=1S/C10H16F3NO3/c1-14(7-10(11,12)13)8(15)6-9(16)2-4-17-5-3-9/h16H,2-7H2,1H3
InChIKeyAHLSSOYGRXJXFX-UHFFFAOYSA-N
XLogP0.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyoxan-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-hydroxyoxan-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 175786216) is 2-(4-hydroxyoxan-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-hydroxyoxan-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-hydroxyoxan-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CC1(O)CCOCC1.
What is the InChIKey of 2-(4-hydroxyoxan-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is AHLSSOYGRXJXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-14(7-10(11,12)13)8(15)6-9(16)2-4-17-5-3-9/h16H,2-7H2,1H3.
What are the key properties of 2-(4-hydroxyoxan-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-hydroxyoxan-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 255.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyoxan-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 175786216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).