N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide

C11H18F3NO4 — CID 105337107

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCN(CC1(O)CCOCC1)C(=O)COCC(F)(F)F
InChIInChI=1S/C11H18F3NO4/c1-15(7-10(17)2-4-18-5-3-10)9(16)6-19-8-11(12,13)14/h17H,2-8H2,1H3
InChIKeyISRNUCDSHMJWNP-UHFFFAOYSA-N
MW285.26 g/mol
LogP0.57
Rot. Bonds5

About N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide

N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 105337107) has the molecular formula C11H18F3NO4 and a molecular weight of 285.26 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID105337107
Molecular FormulaC11H18F3NO4
Molecular Weight285.26 g/mol
Exact Mass285.12
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCN(CC1(O)CCOCC1)C(=O)COCC(F)(F)F
InChIInChI=1S/C11H18F3NO4/c1-15(7-10(17)2-4-18-5-3-10)9(16)6-19-8-11(12,13)14/h17H,2-8H2,1H3
InChIKeyISRNUCDSHMJWNP-UHFFFAOYSA-N
XLogP0.57
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 105337107) is N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide is CN(CC1(O)CCOCC1)C(=O)COCC(F)(F)F.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is ISRNUCDSHMJWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO4/c1-15(7-10(17)2-4-18-5-3-10)9(16)6-19-8-11(12,13)14/h17H,2-8H2,1H3.
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 285.26 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 105337107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).