2,2,2-trifluoro-N-(2-prop-2-enoxyethyl)acetamide

C7H10F3NO2 — CID 10910465

IUPAC2,2,2-trifluoro-N-(2-prop-2-enoxyethyl)acetamide
SMILESC=CCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-2-4-13-5-3-11-6(12)7(8,9)10/h2H,1,3-5H2,(H,11,12)
InChIKeyZHZLRALTARZQGN-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.87
Rot. Bonds5

About 2,2,2-trifluoro-N-(2-prop-2-enoxyethyl)acetamide

2,2,2-trifluoro-N-(2-prop-2-enoxyethyl)acetamide (PubChem CID 10910465) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-prop-2-enoxyethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-prop-2-enoxyethyl)acetamide
PubChem CID10910465
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name2,2,2-trifluoro-N-(2-prop-2-enoxyethyl)acetamide
SMILESC=CCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-2-4-13-5-3-11-6(12)7(8,9)10/h2H,1,3-5H2,(H,11,12)
InChIKeyZHZLRALTARZQGN-UHFFFAOYSA-N
XLogP0.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.87
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-(Trifluoroacetyl)glycine allyl ester
CID 21630312
[(Z)-but-2-enyl] 2-[(2,2-difluoroacetyl)amino]acetate
CID 139529726
2,2,2-trifluoro-N-(4-prop-2-enoxybutyl)acetamide
CID 140205994
2,2,2-trifluoro-N-(1-prop-2-enoxyethyl)acetamide
CID 140205995
2,2,2-trifluoro-N-(2-prop-2-enoxyethyl)ethanamine
CID 62570974
N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide
CID 63827877
2,2-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 103516110
N-(2-but-3-enoxyethyl)-2,2,2-trifluoroacetamide
CID 103855608
N-[2-(2,2-difluoroethoxy)ethyl]prop-2-enamide
CID 105908274
N-(2-but-3-enoxyethyl)-2,2-difluoroacetamide
CID 107168162
3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700293
2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115701030

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-prop-2-enoxyethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-prop-2-enoxyethyl)acetamide (CID 10910465) is 2,2,2-trifluoro-N-(2-prop-2-enoxyethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-prop-2-enoxyethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-prop-2-enoxyethyl)acetamide is C=CCOCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-prop-2-enoxyethyl)acetamide?
The InChIKey is ZHZLRALTARZQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-2-4-13-5-3-11-6(12)7(8,9)10/h2H,1,3-5H2,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-(2-prop-2-enoxyethyl)acetamide?
2,2,2-trifluoro-N-(2-prop-2-enoxyethyl)acetamide has a molecular weight of 197.16 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-prop-2-enoxyethyl)acetamide is sourced from PubChem (CID 10910465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).