N-methyl-N-(3,3,3-trifluoro-1-hydroxypropyl)acetamide

C6H10F3NO2 — CID 25029674

IUPACN-methyl-N-(3,3,3-trifluoro-1-hydroxypropyl)acetamide
SMILESCC(=O)N(C)C(O)CC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-4(11)10(2)5(12)3-6(7,8)9/h5,12H,3H2,1-2H3
InChIKeyJARHHKGXOVLJOJ-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.74
Rot. Bonds2

About N-methyl-N-(3,3,3-trifluoro-1-hydroxypropyl)acetamide

N-methyl-N-(3,3,3-trifluoro-1-hydroxypropyl)acetamide (PubChem CID 25029674) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is N-methyl-N-(3,3,3-trifluoro-1-hydroxypropyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(3,3,3-trifluoro-1-hydroxypropyl)acetamide
PubChem CID25029674
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC NameN-methyl-N-(3,3,3-trifluoro-1-hydroxypropyl)acetamide
SMILESCC(=O)N(C)C(O)CC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-4(11)10(2)5(12)3-6(7,8)9/h5,12H,3H2,1-2H3
InChIKeyJARHHKGXOVLJOJ-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3,3,3-trifluoro-1-hydroxypropyl)acetamide?
The IUPAC name of N-methyl-N-(3,3,3-trifluoro-1-hydroxypropyl)acetamide (CID 25029674) is N-methyl-N-(3,3,3-trifluoro-1-hydroxypropyl)acetamide.
What is the SMILES notation for N-methyl-N-(3,3,3-trifluoro-1-hydroxypropyl)acetamide?
The canonical SMILES for N-methyl-N-(3,3,3-trifluoro-1-hydroxypropyl)acetamide is CC(=O)N(C)C(O)CC(F)(F)F.
What is the InChIKey of N-methyl-N-(3,3,3-trifluoro-1-hydroxypropyl)acetamide?
The InChIKey is JARHHKGXOVLJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-4(11)10(2)5(12)3-6(7,8)9/h5,12H,3H2,1-2H3.
What are the key properties of N-methyl-N-(3,3,3-trifluoro-1-hydroxypropyl)acetamide?
N-methyl-N-(3,3,3-trifluoro-1-hydroxypropyl)acetamide has a molecular weight of 185.14 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3,3,3-trifluoro-1-hydroxypropyl)acetamide is sourced from PubChem (CID 25029674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).