N-butan-2-yl-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide

C9H16F3NO2 — CID 63821959

IUPACN-butan-2-yl-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
SMILESCCC(C)N(CCOC)C(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-4-7(2)13(5-6-15-3)8(14)9(10,11)12/h7H,4-6H2,1-3H3
InChIKeyJFRKQLNWYYXCMD-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.82
Rot. Bonds5

About N-butan-2-yl-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide

N-butan-2-yl-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide (PubChem CID 63821959) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is N-butan-2-yl-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
PubChem CID63821959
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC NameN-butan-2-yl-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
SMILESCCC(C)N(CCOC)C(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-4-7(2)13(5-6-15-3)8(14)9(10,11)12/h7H,4-6H2,1-3H3
InChIKeyJFRKQLNWYYXCMD-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Isopropyl(trifluoroacetyl)amino)ethyl trifluoroacetate
CID 91712837
2,2,3,3,3-Pentafluoro-N-(1-methoxy-2-methylpropan-2-yl)-N-methylpropanamide
CID 91723616
Acetamide, N-methyl-N-(2-methoxyethyl)trifluoro-
CID 62728049
2,2-difluoro-N,N-bis(2-methoxyethyl)propanamide
CID 10922182
2,2-difluoro-N,N-bis(2-methoxyethyl)butanamide
CID 10955643
Acetamide, N-ethyl-N-(2-ethoxyethyl)trifluoro-
CID 63719353
2-fluoro-N,N-bis(2-methoxyethyl)acetamide
CID 59892566
2,2,3-trifluoro-N,N-bis(2-methoxyethyl)propanamide
CID 60105105
N-ethyl-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
CID 62728771
2,2,2-trifluoro-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82960259
1-[3-(Trifluoromethyl)morpholin-4-yl]ethanone
CID 130613239
2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl N-tert-butyl-N-propan-2-ylcarbamate
CID 140544829

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-butan-2-yl-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide (CID 63821959) is N-butan-2-yl-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-butan-2-yl-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-butan-2-yl-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide is CCC(C)N(CCOC)C(=O)C(F)(F)F.
What is the InChIKey of N-butan-2-yl-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
The InChIKey is JFRKQLNWYYXCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-4-7(2)13(5-6-15-3)8(14)9(10,11)12/h7H,4-6H2,1-3H3.
What are the key properties of N-butan-2-yl-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
N-butan-2-yl-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide has a molecular weight of 227.23 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 63821959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).