4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide

C10H16F3NO2 — CID 115699608

IUPAC4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide
SMILESC=C(C)COCCNC(=O)CCC(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-8(2)7-16-6-5-14-9(15)3-4-10(11,12)13/h1,3-7H2,2H3,(H,14,15)
InChIKeyHORZHFUTVYYRPH-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.04
Rot. Bonds7

About 4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide

4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide (PubChem CID 115699608) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide
PubChem CID115699608
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide
SMILESC=C(C)COCCNC(=O)CCC(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-8(2)7-16-6-5-14-9(15)3-4-10(11,12)13/h1,3-7H2,2H3,(H,14,15)
InChIKeyHORZHFUTVYYRPH-UHFFFAOYSA-N
XLogP2.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.04
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
4-Amino-1-[3-(1,1-difluoro-2-methylprop-2-enoxy)azetidin-1-yl]butan-1-one
CID 166741178
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
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
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 113258484

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide (CID 115699608) is 4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide is C=C(C)COCCNC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide?
The InChIKey is HORZHFUTVYYRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-8(2)7-16-6-5-14-9(15)3-4-10(11,12)13/h1,3-7H2,2H3,(H,14,15).
What are the key properties of 4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide?
4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide has a molecular weight of 239.24 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide is sourced from PubChem (CID 115699608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).