2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)acetamide

C8H14F3NO2 — CID 80716520

IUPAC2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)acetamide
SMILESCC(C)OCCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6(2)14-5-4-12(3)7(13)8(9,10)11/h6H,4-5H2,1-3H3
InChIKeyWEQQSIWOEBWRRC-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.43
Rot. Bonds4

About 2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)acetamide

2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)acetamide (PubChem CID 80716520) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)acetamide
PubChem CID80716520
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)acetamide
SMILESCC(C)OCCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6(2)14-5-4-12(3)7(13)8(9,10)11/h6H,4-5H2,1-3H3
InChIKeyWEQQSIWOEBWRRC-UHFFFAOYSA-N
XLogP1.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)acetamide (CID 80716520) is 2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)acetamide is CC(C)OCCN(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)acetamide?
The InChIKey is WEQQSIWOEBWRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-6(2)14-5-4-12(3)7(13)8(9,10)11/h6H,4-5H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)acetamide?
2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)acetamide has a molecular weight of 213.20 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)acetamide is sourced from PubChem (CID 80716520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).