2,2,2-trifluoro-N-methyl-N-(oxan-2-ylmethyl)acetamide

C9H14F3NO2 — CID 62726928

IUPAC2,2,2-trifluoro-N-methyl-N-(oxan-2-ylmethyl)acetamide
SMILESCN(CC1CCCCO1)C(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-13(8(14)9(10,11)12)6-7-4-2-3-5-15-7/h7H,2-6H2,1H3
InChIKeySQKHYUGFCRRVNN-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.58
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-N-(oxan-2-ylmethyl)acetamide

2,2,2-trifluoro-N-methyl-N-(oxan-2-ylmethyl)acetamide (PubChem CID 62726928) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(oxan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(oxan-2-ylmethyl)acetamide
PubChem CID62726928
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2,2,2-trifluoro-N-methyl-N-(oxan-2-ylmethyl)acetamide
SMILESCN(CC1CCCCO1)C(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-13(8(14)9(10,11)12)6-7-4-2-3-5-15-7/h7H,2-6H2,1H3
InChIKeySQKHYUGFCRRVNN-UHFFFAOYSA-N
XLogP1.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(oxan-2-ylmethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(oxan-2-ylmethyl)acetamide (CID 62726928) is 2,2,2-trifluoro-N-methyl-N-(oxan-2-ylmethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(oxan-2-ylmethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(oxan-2-ylmethyl)acetamide is CN(CC1CCCCO1)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(oxan-2-ylmethyl)acetamide?
The InChIKey is SQKHYUGFCRRVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-13(8(14)9(10,11)12)6-7-4-2-3-5-15-7/h7H,2-6H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(oxan-2-ylmethyl)acetamide?
2,2,2-trifluoro-N-methyl-N-(oxan-2-ylmethyl)acetamide has a molecular weight of 225.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(oxan-2-ylmethyl)acetamide is sourced from PubChem (CID 62726928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).