2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide

C9H15F3N2O2 — CID 61492688

IUPAC2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCC1CCOC1)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-14-8(15)4-13-3-7-1-2-16-5-7/h7,13H,1-6H2,(H,14,15)
InChIKeyRQQWZNLTLWYMPZ-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.29
Rot. Bonds5

About 2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61492688) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61492688
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCC1CCOC1)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-14-8(15)4-13-3-7-1-2-16-5-7/h7,13H,1-6H2,(H,14,15)
InChIKeyRQQWZNLTLWYMPZ-UHFFFAOYSA-N
XLogP0.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 62371374
2,2,2-trifluoro-N-(oxolan-3-ylmethyl)acetamide
CID 62728791
2-(oxan-4-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 63711853
N-[3-(2-methylpropoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924216
N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924306
N-[3-(cyclopropylmethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924319
N-ethyl-N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78925192
N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957853
N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958422
1-[3-(Methoxymethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 78998651
2-amino-3,3,3-trifluoro-2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 79797744
2-amino-N-ethyl-3,3,3-trifluoro-2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 79805076

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 61492688) is 2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCC1CCOC1)NCC(F)(F)F.
What is the InChIKey of 2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RQQWZNLTLWYMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)6-14-8(15)4-13-3-7-1-2-16-5-7/h7,13H,1-6H2,(H,14,15).
What are the key properties of 2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 240.22 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61492688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).