N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

C9H14F3NO3 — CID 103718215

IUPACN-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCC1(O)CCC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)6-16-4-7(14)13-5-8(15)2-1-3-8/h15H,1-6H2,(H,13,14)
InChIKeyRLGPURZAPVMLDJ-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.60
Rot. Bonds5

About N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103718215) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103718215
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCC1(O)CCC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)6-16-4-7(14)13-5-8(15)2-1-3-8/h15H,1-6H2,(H,13,14)
InChIKeyRLGPURZAPVMLDJ-UHFFFAOYSA-N
XLogP0.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103718215) is N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NCC1(O)CCC1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is RLGPURZAPVMLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)6-16-4-7(14)13-5-8(15)2-1-3-8/h15H,1-6H2,(H,13,14).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 241.21 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103718215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).