N-(2-but-3-enoxyethyl)-2,2,2-trifluoroacetamide

C8H12F3NO2 — CID 103855608

IUPACN-(2-but-3-enoxyethyl)-2,2,2-trifluoroacetamide
SMILESC=CCCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-2-3-5-14-6-4-12-7(13)8(9,10)11/h2H,1,3-6H2,(H,12,13)
InChIKeyHOZQEIQQWGZPEZ-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.26
Rot. Bonds6

About N-(2-but-3-enoxyethyl)-2,2,2-trifluoroacetamide

N-(2-but-3-enoxyethyl)-2,2,2-trifluoroacetamide (PubChem CID 103855608) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2,2,2-trifluoroacetamide
PubChem CID103855608
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC NameN-(2-but-3-enoxyethyl)-2,2,2-trifluoroacetamide
SMILESC=CCCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-2-3-5-14-6-4-12-7(13)8(9,10)11/h2H,1,3-6H2,(H,12,13)
InChIKeyHOZQEIQQWGZPEZ-UHFFFAOYSA-N
XLogP1.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(Allyloxy)ethyl]-2,2,2-trifluoroacetamide
CID 10910465
2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylacetamide
CID 58057340
CH2=CH(CO)Nhch2CH2ocf2cfhcf3
CID 131724606
N-(2-but-3-enoxyethyl)-2,2,2-trifluoroethanamine
CID 62599212
N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide
CID 63827877
N-but-3-enyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208991
1-(2-But-3-enoxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 103853132
2,2,2-trifluoroethyl N-(2-but-3-enoxyethyl)carbamate
CID 103853139
N-(2-but-3-enoxyethyl)-2,2,3,3-tetrafluoropropanamide
CID 103855683
N-[2-(2,2-difluoroethoxy)ethyl]prop-2-enamide
CID 105908274
2-but-3-enoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 106401382
N-(2-but-3-enoxyethyl)-2,2-difluoroethanamine
CID 106401641

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-but-3-enoxyethyl)-2,2,2-trifluoroacetamide (CID 103855608) is N-(2-but-3-enoxyethyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2,2,2-trifluoroacetamide is C=CCCOCCNC(=O)C(F)(F)F.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2,2,2-trifluoroacetamide?
The InChIKey is HOZQEIQQWGZPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-2-3-5-14-6-4-12-7(13)8(9,10)11/h2H,1,3-6H2,(H,12,13).
What are the key properties of N-(2-but-3-enoxyethyl)-2,2,2-trifluoroacetamide?
N-(2-but-3-enoxyethyl)-2,2,2-trifluoroacetamide has a molecular weight of 211.18 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 103855608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).