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

C10H16F3NO4 — CID 113358065

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NC1(CO)CCOCC1
InChIInChI=1S/C10H16F3NO4/c11-10(12,13)7-18-5-8(16)14-9(6-15)1-3-17-4-2-9/h15H,1-7H2,(H,14,16)
InChIKeyPOEAIKBLHKACET-UHFFFAOYSA-N
MW271.23 g/mol
LogP0.22
Rot. Bonds5

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

N-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 113358065) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID113358065
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NC1(CO)CCOCC1
InChIInChI=1S/C10H16F3NO4/c11-10(12,13)7-18-5-8(16)14-9(6-15)1-3-17-4-2-9/h15H,1-7H2,(H,14,16)
InChIKeyPOEAIKBLHKACET-UHFFFAOYSA-N
XLogP0.22
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 50.22
H-Bond Donors ≤ 52
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-trifluoroethoxy)acetamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 113358065) is N-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NC1(CO)CCOCC1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is POEAIKBLHKACET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c11-10(12,13)7-18-5-8(16)14-9(6-15)1-3-17-4-2-9/h15H,1-7H2,(H,14,16).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 271.23 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 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-trifluoroethoxy)acetamide is sourced from PubChem (CID 113358065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).