2,2,2-trifluoro-N-[(1S,3Z,5Z)-2-methylidene-8-oxocyclodeca-3,5-dien-1-yl]acetamide

C13H14F3NO2 — CID 122627035

IUPAC2,2,2-trifluoro-N-[(1S,3Z,5Z)-2-methylidene-8-oxocyclodeca-3,5-dien-1-yl]acetamide
SMILESC=C1/C=C/C=C\CC(=O)CC[C@@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C13H14F3NO2/c1-9-5-3-2-4-6-10(18)7-8-11(9)17-12(19)13(14,15)16/h2-5,11H,1,6-8H2,(H,17,19)/b4-2-,5-3-/t11-/m0/s1
InChIKeyDGQFXFZBHBXVSU-CMIVIMLMSA-N
MW273.25 g/mol
LogP2.46
Rot. Bonds1

About 2,2,2-trifluoro-N-[(1S,3Z,5Z)-2-methylidene-8-oxocyclodeca-3,5-dien-1-yl]acetamide

2,2,2-trifluoro-N-[(1S,3Z,5Z)-2-methylidene-8-oxocyclodeca-3,5-dien-1-yl]acetamide (PubChem CID 122627035) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1S,3Z,5Z)-2-methylidene-8-oxocyclodeca-3,5-dien-1-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1S,3Z,5Z)-2-methylidene-8-oxocyclodeca-3,5-dien-1-yl]acetamide
PubChem CID122627035
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name2,2,2-trifluoro-N-[(1S,3Z,5Z)-2-methylidene-8-oxocyclodeca-3,5-dien-1-yl]acetamide
SMILESC=C1/C=C/C=C\CC(=O)CC[C@@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C13H14F3NO2/c1-9-5-3-2-4-6-10(18)7-8-11(9)17-12(19)13(14,15)16/h2-5,11H,1,6-8H2,(H,17,19)/b4-2-,5-3-/t11-/m0/s1
InChIKeyDGQFXFZBHBXVSU-CMIVIMLMSA-N
XLogP2.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoropropanamide;5-[(3E)-hexa-1,3,5-trien-3-yl]pyrrolidin-2-one
CID 154642013
N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]hexadecanamide
CID 166889840
N-[(3S,5Z)-5-ethenyl-2-oxoocta-5,7-dien-3-yl]-2,2,2-trifluoroacetamide
CID 156751181

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1S,3Z,5Z)-2-methylidene-8-oxocyclodeca-3,5-dien-1-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1S,3Z,5Z)-2-methylidene-8-oxocyclodeca-3,5-dien-1-yl]acetamide (CID 122627035) is 2,2,2-trifluoro-N-[(1S,3Z,5Z)-2-methylidene-8-oxocyclodeca-3,5-dien-1-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1S,3Z,5Z)-2-methylidene-8-oxocyclodeca-3,5-dien-1-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1S,3Z,5Z)-2-methylidene-8-oxocyclodeca-3,5-dien-1-yl]acetamide is C=C1/C=C/C=C\CC(=O)CC[C@@H]1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(1S,3Z,5Z)-2-methylidene-8-oxocyclodeca-3,5-dien-1-yl]acetamide?
The InChIKey is DGQFXFZBHBXVSU-CMIVIMLMSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-9-5-3-2-4-6-10(18)7-8-11(9)17-12(19)13(14,15)16/h2-5,11H,1,6-8H2,(H,17,19)/b4-2-,5-3-/t11-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1S,3Z,5Z)-2-methylidene-8-oxocyclodeca-3,5-dien-1-yl]acetamide?
2,2,2-trifluoro-N-[(1S,3Z,5Z)-2-methylidene-8-oxocyclodeca-3,5-dien-1-yl]acetamide has a molecular weight of 273.25 g/mol, XLogP of 2.46, 1 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-[(1S,3Z,5Z)-2-methylidene-8-oxocyclodeca-3,5-dien-1-yl]acetamide is sourced from PubChem (CID 122627035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).