N-butyl-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide

C11H20F3NO2 — CID 113227401

IUPACN-butyl-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)COCCC
InChIInChI=1S/C11H20F3NO2/c1-3-5-6-15(9-11(12,13)14)10(16)8-17-7-4-2/h3-9H2,1-2H3
InChIKeyHLOAJVOXJSYFQL-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.60
Rot. Bonds8

About N-butyl-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide

N-butyl-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 113227401) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-butyl-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID113227401
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC NameN-butyl-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)COCCC
InChIInChI=1S/C11H20F3NO2/c1-3-5-6-15(9-11(12,13)14)10(16)8-17-7-4-2/h3-9H2,1-2H3
InChIKeyHLOAJVOXJSYFQL-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dibutyl-2-propoxyacetamide
CID 48656867
2-[(2-propoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107938155
N-butyl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 112687242
2-(2-aminoethoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 79473764
N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)acetamide
CID 60809342
N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 78866720
N-(2-hydroxyethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 107483398
ethyl 4-[butyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate
CID 60778332
N-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 112687246
N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide
CID 63307840
N-butyl-2-(4-iodophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 55763631
2-(2-aminoethoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 79474134

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-butyl-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide (CID 113227401) is N-butyl-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-butyl-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-butyl-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide is CCCCN(CC(F)(F)F)C(=O)COCCC.
What is the InChIKey of N-butyl-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HLOAJVOXJSYFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-3-5-6-15(9-11(12,13)14)10(16)8-17-7-4-2/h3-9H2,1-2H3.
What are the key properties of N-butyl-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide?
N-butyl-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 255.28 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 113227401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).