2-ethoxy-N-(4,4,4-trifluorobutan-2-yl)acetamide

C8H14F3NO2 — CID 104854854

IUPAC2-ethoxy-N-(4,4,4-trifluorobutan-2-yl)acetamide
SMILESCCOCC(=O)NC(C)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-3-14-5-7(13)12-6(2)4-8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyBLUADSBCRDNLIM-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.48
Rot. Bonds5

About 2-ethoxy-N-(4,4,4-trifluorobutan-2-yl)acetamide

2-ethoxy-N-(4,4,4-trifluorobutan-2-yl)acetamide (PubChem CID 104854854) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-ethoxy-N-(4,4,4-trifluorobutan-2-yl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(4,4,4-trifluorobutan-2-yl)acetamide
PubChem CID104854854
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2-ethoxy-N-(4,4,4-trifluorobutan-2-yl)acetamide
SMILESCCOCC(=O)NC(C)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-3-14-5-7(13)12-6(2)4-8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyBLUADSBCRDNLIM-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(Trifluoromethyl)morpholin-3-one
CID 54595323
2-Methoxy-N-(propan-2-yl)acetamide
CID 19353620
2,2,2-trifluoro-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 14511495
2,2,2-trifluoro-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 14511496
2-(1,1-difluoropropoxy)-N-ethyl-2,2-difluoroacetamide
CID 23379718
N-(2-aminoethyl)-2,2-difluoro-2-propoxyacetamide
CID 23379722
N-(1-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide
CID 57737704
2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 57832481
2,2,2-trifluoro-N-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]acetamide
CID 58007240
2-methoxy-N-(2,2,2-trifluoroethyl)acetamide
CID 60637903
N-(2,2-difluoroethyl)-2-methoxyacetamide
CID 79078959
5-(Difluoromethyl)morpholin-3-one
CID 84716430

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(4,4,4-trifluorobutan-2-yl)acetamide?
The IUPAC name of 2-ethoxy-N-(4,4,4-trifluorobutan-2-yl)acetamide (CID 104854854) is 2-ethoxy-N-(4,4,4-trifluorobutan-2-yl)acetamide.
What is the SMILES notation for 2-ethoxy-N-(4,4,4-trifluorobutan-2-yl)acetamide?
The canonical SMILES for 2-ethoxy-N-(4,4,4-trifluorobutan-2-yl)acetamide is CCOCC(=O)NC(C)CC(F)(F)F.
What is the InChIKey of 2-ethoxy-N-(4,4,4-trifluorobutan-2-yl)acetamide?
The InChIKey is BLUADSBCRDNLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-3-14-5-7(13)12-6(2)4-8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-ethoxy-N-(4,4,4-trifluorobutan-2-yl)acetamide?
2-ethoxy-N-(4,4,4-trifluorobutan-2-yl)acetamide has a molecular weight of 213.20 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(4,4,4-trifluorobutan-2-yl)acetamide is sourced from PubChem (CID 104854854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).