N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide

C10H16F3NO3 — CID 86823997

IUPACN-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCN(CC1CCCO1)C(=O)COCC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-14(5-8-3-2-4-17-8)9(15)6-16-7-10(11,12)13/h8H,2-7H2,1H3
InChIKeyYBKLZBJEIRJBEU-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.20
Rot. Bonds5

About N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86823997) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86823997
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC NameN-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCN(CC1CCCO1)C(=O)COCC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-14(5-8-3-2-4-17-8)9(15)6-16-7-10(11,12)13/h8H,2-7H2,1H3
InChIKeyYBKLZBJEIRJBEU-UHFFFAOYSA-N
XLogP1.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 86823997) is N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide is CN(CC1CCCO1)C(=O)COCC(F)(F)F.
What is the InChIKey of N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is YBKLZBJEIRJBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-14(5-8-3-2-4-17-8)9(15)6-16-7-10(11,12)13/h8H,2-7H2,1H3.
What are the key properties of N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 255.24 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86823997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).