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

C10H13F6NO2 — CID 103310130

IUPAC3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)propanamide
SMILESC=C(C)COCCNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6NO2/c1-6(2)5-19-4-3-17-8(18)7(9(11,12)13)10(14,15)16/h7H,1,3-5H2,2H3,(H,17,18)
InChIKeyPFYSDBPHFVPFKH-UHFFFAOYSA-N
MW293.21 g/mol
LogP2.44
Rot. Bonds6

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

3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)propanamide (PubChem CID 103310130) has the molecular formula C10H13F6NO2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)propanamide
PubChem CID103310130
Molecular FormulaC10H13F6NO2
Molecular Weight293.21 g/mol
Exact Mass293.09
IUPAC Name3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)propanamide
SMILESC=C(C)COCCNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6NO2/c1-6(2)5-19-4-3-17-8(18)7(9(11,12)13)10(14,15)16/h7H,1,3-5H2,2H3,(H,17,18)
InChIKeyPFYSDBPHFVPFKH-UHFFFAOYSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 52.44
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
2-[(2,2,2-Trifluoroacetyl)amino]ethyl 2-methylprop-2-enoate
CID 88915565
2-(3-Fluoropropanoylamino)ethyl 2-methylprop-2-enoate
CID 89788848
2-(2,2,3,3-Tetrafluorobutanoylamino)ethyl 2-methylprop-2-enoate
CID 169984165
3-(2,2-difluoroethoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 103208993
2,2-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 103516110
2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)ethyl]propanamide
CID 103733008
2,2,3,3-tetrafluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 103769575
2,2,3,3,3-pentafluoro-N-[2-(2-methylpropoxy)ethyl]propanamide
CID 108095568
2,2,3,3,3-pentafluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 108095580
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 113258482

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)propanamide (CID 103310130) is 3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)propanamide is C=C(C)COCCNC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)propanamide?
The InChIKey is PFYSDBPHFVPFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6NO2/c1-6(2)5-19-4-3-17-8(18)7(9(11,12)13)10(14,15)16/h7H,1,3-5H2,2H3,(H,17,18).
What are the key properties of 3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)propanamide has a molecular weight of 293.21 g/mol, XLogP of 2.44, 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]-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).