N-methyl-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)acetamide

C6H10F3NO3 — CID 15852922

IUPACN-methyl-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)acetamide
SMILESCC(=O)N(C)CC(O)(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-4(11)10(2)3-5(12,13)6(7,8)9/h12-13H,3H2,1-2H3
InChIKeySVUJBVSRYGZNBE-UHFFFAOYSA-N
MW201.14 g/mol
LogP-0.29
Rot. Bonds2

About N-methyl-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)acetamide

N-methyl-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)acetamide (PubChem CID 15852922) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is N-methyl-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)acetamide
PubChem CID15852922
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC NameN-methyl-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)acetamide
SMILESCC(=O)N(C)CC(O)(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-4(11)10(2)3-5(12,13)6(7,8)9/h12-13H,3H2,1-2H3
InChIKeySVUJBVSRYGZNBE-UHFFFAOYSA-N
XLogP-0.29
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-(2-hydroxyethyl)-N-propylacetamide
CID 61424901
2-[2-Oxopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid
CID 23539839
2,2,2-trifluoro-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334443
2,2,2-Trifluoro-1-(3-hydroxy-3-methylazetidin-1-yl)ethan-1-one
CID 65952807
1-[3-Hydroxy-3-(trifluoromethyl)azetidin-1-yl]ethanone
CID 89583840
N-ethyl-2,2,2-trifluoro-N-[(2R)-2-hydroxypropyl]acetamide
CID 130657476
N-ethyl-2,2,2-trifluoro-N-(2-hydroxypropyl)acetamide
CID 130708897
2,2,2-trifluoro-N-[(2S)-2-hydroxypropyl]-N-methylacetamide
CID 130734465
N-ethyl-2,2,2-trifluoro-N-[(2S)-2-hydroxypropyl]acetamide
CID 130944845
2,2,2-trifluoro-N-[(2R)-2-hydroxypropyl]-N-methylacetamide
CID 131107246
N,N-diethyl-2-fluoro-2-hydroxypropanamide
CID 134477181
2-[Methyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 16776833

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)acetamide?
The IUPAC name of N-methyl-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)acetamide (CID 15852922) is N-methyl-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)acetamide.
What is the SMILES notation for N-methyl-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)acetamide?
The canonical SMILES for N-methyl-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)acetamide is CC(=O)N(C)CC(O)(O)C(F)(F)F.
What is the InChIKey of N-methyl-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)acetamide?
The InChIKey is SVUJBVSRYGZNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c1-4(11)10(2)3-5(12,13)6(7,8)9/h12-13H,3H2,1-2H3.
What are the key properties of N-methyl-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)acetamide?
N-methyl-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)acetamide has a molecular weight of 201.14 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)acetamide is sourced from PubChem (CID 15852922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).