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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Related Compounds

N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 59961165
5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-one
CID 103343915
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592998
copper;4-(dimethylamino)-1,1,1-trifluoropentan-3-ol
CID 169074035
N-methyl-N-(1,1,1-trifluoro-5-oxohex-3-en-2-yl)acetamide
CID 142240713
(4,4,4-trifluoro-1-hydroxy-1-methoxybutan-2-yl) 2-methylprop-2-enoate
CID 139912990
ethyl 4,4,4-trifluoro-2-hydroxybutanoate
CID 19805842
4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N-dimethyl-4-(trifluoromethyl)hexanamide
CID 162347936
N-(1-chloropropan-2-yl)-N-methylacetamide
CID 104555726
N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]acetamide
CID 58468946
ethane;1,1,1-trifluoropentan-3-ol
CID 170602798
N-methyl-N-(3-methylbutan-2-yl)acetamide
CID 59974512

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).