2,2,2-trifluoro-N-(2-hydroxypropyl)-N-methylacetamide

C6H10F3NO2 — CID 62334443

IUPAC2,2,2-trifluoro-N-(2-hydroxypropyl)-N-methylacetamide
SMILESCC(O)CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-4(11)3-10(2)5(12)6(7,8)9/h4,11H,3H2,1-2H3
InChIKeyIVVSXLVNHCQRES-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.39
Rot. Bonds2

About 2,2,2-trifluoro-N-(2-hydroxypropyl)-N-methylacetamide

2,2,2-trifluoro-N-(2-hydroxypropyl)-N-methylacetamide (PubChem CID 62334443) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-hydroxypropyl)-N-methylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-hydroxypropyl)-N-methylacetamide
PubChem CID62334443
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name2,2,2-trifluoro-N-(2-hydroxypropyl)-N-methylacetamide
SMILESCC(O)CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-4(11)3-10(2)5(12)6(7,8)9/h4,11H,3H2,1-2H3
InChIKeyIVVSXLVNHCQRES-UHFFFAOYSA-N
XLogP0.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-hydroxypropyl)-N-methylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-hydroxypropyl)-N-methylacetamide (CID 62334443) is 2,2,2-trifluoro-N-(2-hydroxypropyl)-N-methylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-hydroxypropyl)-N-methylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-hydroxypropyl)-N-methylacetamide is CC(O)CN(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-hydroxypropyl)-N-methylacetamide?
The InChIKey is IVVSXLVNHCQRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-4(11)3-10(2)5(12)6(7,8)9/h4,11H,3H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-(2-hydroxypropyl)-N-methylacetamide?
2,2,2-trifluoro-N-(2-hydroxypropyl)-N-methylacetamide has a molecular weight of 185.14 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-hydroxypropyl)-N-methylacetamide is sourced from PubChem (CID 62334443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).