N-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide

C10H17F3N2O3 — CID 104630718

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NC1(CO)CCOCC1
InChIInChI=1S/C10H17F3N2O3/c11-10(12,13)6-14-5-8(17)15-9(7-16)1-3-18-4-2-9/h14,16H,1-7H2,(H,15,17)
InChIKeyKUAONABQBPQRKX-UHFFFAOYSA-N
MW270.25 g/mol
LogP-0.20
Rot. Bonds5

About N-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 104630718) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID104630718
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NC1(CO)CCOCC1
InChIInChI=1S/C10H17F3N2O3/c11-10(12,13)6-14-5-8(17)15-9(7-16)1-3-18-4-2-9/h14,16H,1-7H2,(H,15,17)
InChIKeyKUAONABQBPQRKX-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-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 104630718) is N-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NC1(CO)CCOCC1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is KUAONABQBPQRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c11-10(12,13)6-14-5-8(17)15-9(7-16)1-3-18-4-2-9/h14,16H,1-7H2,(H,15,17).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[4-(hydroxymethyl)oxan-4-yl]-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-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 104630718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).