2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C9H15F3N2O3 — CID 106100664

IUPAC2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCC1(O)CCOC1)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c10-9(11,12)5-14-7(15)3-13-4-8(16)1-2-17-6-8/h13,16H,1-6H2,(H,14,15)
InChIKeyNHXRLUSTQVRMEF-UHFFFAOYSA-N
MW256.22 g/mol
LogP-0.59
Rot. Bonds5

About 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 106100664) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID106100664
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCC1(O)CCOC1)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c10-9(11,12)5-14-7(15)3-13-4-8(16)1-2-17-6-8/h13,16H,1-6H2,(H,14,15)
InChIKeyNHXRLUSTQVRMEF-UHFFFAOYSA-N
XLogP-0.59
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 106100664) is 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCC1(O)CCOC1)NCC(F)(F)F.
What is the InChIKey of 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NHXRLUSTQVRMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c10-9(11,12)5-14-7(15)3-13-4-8(16)1-2-17-6-8/h13,16H,1-6H2,(H,14,15).
What are the key properties of 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 256.22 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 106100664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).