N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C10H17F3N2O3 — CID 107301861

IUPACN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC1OCCC1(O)CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-7-9(17,2-3-18-7)5-15-8(16)4-14-6-10(11,12)13/h7,14,17H,2-6H2,1H3,(H,15,16)
InChIKeyIFMCFAKXUIRKIT-UHFFFAOYSA-N
MW270.25 g/mol
LogP-0.21
Rot. Bonds5

About N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 107301861) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID107301861
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC1OCCC1(O)CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-7-9(17,2-3-18-7)5-15-8(16)4-14-6-10(11,12)13/h7,14,17H,2-6H2,1H3,(H,15,16)
InChIKeyIFMCFAKXUIRKIT-UHFFFAOYSA-N
XLogP-0.21
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 107301861) is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is CC1OCCC1(O)CNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is IFMCFAKXUIRKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-7-9(17,2-3-18-7)5-15-8(16)4-14-6-10(11,12)13/h7,14,17H,2-6H2,1H3,(H,15,16).
What are the key properties of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 270.25 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 107301861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).