2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C10H17F3N2O3 — CID 81130106

IUPAC2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCC1(O)CCOCC1)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c11-10(12,13)7-15-8(16)5-14-6-9(17)1-3-18-4-2-9/h14,17H,1-7H2,(H,15,16)
InChIKeyAMUVGPRHDILMAL-UHFFFAOYSA-N
MW270.25 g/mol
LogP-0.20
Rot. Bonds5

About 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 81130106) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID81130106
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCC1(O)CCOCC1)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c11-10(12,13)7-15-8(16)5-14-6-9(17)1-3-18-4-2-9/h14,17H,1-7H2,(H,15,16)
InChIKeyAMUVGPRHDILMAL-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 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 81130106) is 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCC1(O)CCOCC1)NCC(F)(F)F.
What is the InChIKey of 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is AMUVGPRHDILMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c11-10(12,13)7-15-8(16)5-14-6-9(17)1-3-18-4-2-9/h14,17H,1-7H2,(H,15,16).
What are the key properties of 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)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 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 81130106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).