3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide

C9H14F3NO2 — CID 115700293

IUPAC3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
SMILESC=C(C)COCCNC(=O)CC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-7(2)6-15-4-3-13-8(14)5-9(10,11)12/h1,3-6H2,2H3,(H,13,14)
InChIKeyKFRCXKRTXKCXKY-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.65
Rot. Bonds6

About 3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide

3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide (PubChem CID 115700293) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
PubChem CID115700293
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
SMILESC=C(C)COCCNC(=O)CC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-7(2)6-15-4-3-13-8(14)5-9(10,11)12/h1,3-6H2,2H3,(H,13,14)
InChIKeyKFRCXKRTXKCXKY-UHFFFAOYSA-N
XLogP1.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.65
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

2-(2,2,3,3,3-Pentafluoropropanamido)ethyl methacrylate
CID 91694697
2-(2,2,3,3,4,4,4-Heptafluorobutanamido)ethyl methacrylate
CID 91694700
N-[2-(Allyloxy)ethyl]-2,2,2-trifluoroacetamide
CID 10910465
2-[(2,2,2-Trifluoroacetyl)amino]ethyl 2-methylprop-2-enoate
CID 88915565
2-(3-Fluoropropanoylamino)ethyl 2-methylprop-2-enoate
CID 89788848
2-(2,2-Difluoropropylamino)ethyl 2-methylprop-2-enoate
CID 157681283
2-(2,2,3,3-Tetrafluorobutanoylamino)ethyl 2-methylprop-2-enoate
CID 169984165
3-(2,2-difluoroethoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 103208993
3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)propanamide
CID 103310130
2,2-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 103516110
2,2,3,3-tetrafluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 103769575
N-(2-methylprop-2-enyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 104955616

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide (CID 115700293) is 3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide is C=C(C)COCCNC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
The InChIKey is KFRCXKRTXKCXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-7(2)6-15-4-3-13-8(14)5-9(10,11)12/h1,3-6H2,2H3,(H,13,14).
What are the key properties of 3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide has a molecular weight of 225.21 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide is sourced from PubChem (CID 115700293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).