N-[(4-hydroxyoxan-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C10H17F3N2O3 — CID 79038939

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC1(O)CCOCC1
InChIInChI=1S/C10H17F3N2O3/c11-10(12,13)7-14-5-8(16)15-6-9(17)1-3-18-4-2-9/h14,17H,1-7H2,(H,15,16)
InChIKeyIONUHPINRNORAC-UHFFFAOYSA-N
MW270.25 g/mol
LogP-0.20
Rot. Bonds5

About N-[(4-hydroxyoxan-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[(4-hydroxyoxan-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79038939) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79038939
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC1(O)CCOCC1
InChIInChI=1S/C10H17F3N2O3/c11-10(12,13)7-14-5-8(16)15-6-9(17)1-3-18-4-2-9/h14,17H,1-7H2,(H,15,16)
InChIKeyIONUHPINRNORAC-UHFFFAOYSA-N
XLogP-0.20
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 ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 79038939) is N-[(4-hydroxyoxan-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is IONUHPINRNORAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c11-10(12,13)7-14-5-8(16)15-6-9(17)1-3-18-4-2-9/h14,17H,1-7H2,(H,15,16).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(4-hydroxyoxan-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 270.25 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79038939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).