2,2,2-trifluoro-N-[4-(hydroxymethyl)-3-methyloxan-3-yl]acetamide

C9H14F3NO3 — CID 145089102

IUPAC2,2,2-trifluoro-N-[4-(hydroxymethyl)-3-methyloxan-3-yl]acetamide
SMILESCC1(NC(=O)C(F)(F)F)COCCC1CO
InChIInChI=1S/C9H14F3NO3/c1-8(13-7(15)9(10,11)12)5-16-3-2-6(8)4-14/h6,14H,2-5H2,1H3,(H,13,15)
InChIKeyJFZGSUYJGALBQQ-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.45
Rot. Bonds2

About 2,2,2-trifluoro-N-[4-(hydroxymethyl)-3-methyloxan-3-yl]acetamide

2,2,2-trifluoro-N-[4-(hydroxymethyl)-3-methyloxan-3-yl]acetamide (PubChem CID 145089102) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(hydroxymethyl)-3-methyloxan-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(hydroxymethyl)-3-methyloxan-3-yl]acetamide
PubChem CID145089102
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2,2,2-trifluoro-N-[4-(hydroxymethyl)-3-methyloxan-3-yl]acetamide
SMILESCC1(NC(=O)C(F)(F)F)COCCC1CO
InChIInChI=1S/C9H14F3NO3/c1-8(13-7(15)9(10,11)12)5-16-3-2-6(8)4-14/h6,14H,2-5H2,1H3,(H,13,15)
InChIKeyJFZGSUYJGALBQQ-UHFFFAOYSA-N
XLogP0.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(hydroxymethyl)-3-methyloxan-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(hydroxymethyl)-3-methyloxan-3-yl]acetamide (CID 145089102) is 2,2,2-trifluoro-N-[4-(hydroxymethyl)-3-methyloxan-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(hydroxymethyl)-3-methyloxan-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(hydroxymethyl)-3-methyloxan-3-yl]acetamide is CC1(NC(=O)C(F)(F)F)COCCC1CO.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(hydroxymethyl)-3-methyloxan-3-yl]acetamide?
The InChIKey is JFZGSUYJGALBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-8(13-7(15)9(10,11)12)5-16-3-2-6(8)4-14/h6,14H,2-5H2,1H3,(H,13,15).
What are the key properties of 2,2,2-trifluoro-N-[4-(hydroxymethyl)-3-methyloxan-3-yl]acetamide?
2,2,2-trifluoro-N-[4-(hydroxymethyl)-3-methyloxan-3-yl]acetamide has a molecular weight of 241.21 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(hydroxymethyl)-3-methyloxan-3-yl]acetamide is sourced from PubChem (CID 145089102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).