5-[(3E,5E)-5-(trifluoromethyl)octa-3,5,7-trien-4-yl]-1,3-oxazolidin-2-one

C12H14F3NO2 — CID 143177140

IUPAC5-[(3E,5E)-5-(trifluoromethyl)octa-3,5,7-trien-4-yl]-1,3-oxazolidin-2-one
SMILESC=C/C=C(C(=C/CC)\C1CNC(=O)O1)/C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-3-5-8(10-7-16-11(17)18-10)9(6-4-2)12(13,14)15/h4-6,10H,2-3,7H2,1H3,(H,16,17)/b8-5+,9-6+
InChIKeyUFIMOCQFTBXRDJ-XVYDYJIPSA-N
MW261.24 g/mol
LogP3.11
Rot. Bonds4

About 5-[(3E,5E)-5-(trifluoromethyl)octa-3,5,7-trien-4-yl]-1,3-oxazolidin-2-one

5-[(3E,5E)-5-(trifluoromethyl)octa-3,5,7-trien-4-yl]-1,3-oxazolidin-2-one (PubChem CID 143177140) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 5-[(3E,5E)-5-(trifluoromethyl)octa-3,5,7-trien-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(3E,5E)-5-(trifluoromethyl)octa-3,5,7-trien-4-yl]-1,3-oxazolidin-2-one
PubChem CID143177140
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name5-[(3E,5E)-5-(trifluoromethyl)octa-3,5,7-trien-4-yl]-1,3-oxazolidin-2-one
SMILESC=C/C=C(C(=C/CC)\C1CNC(=O)O1)/C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-3-5-8(10-7-16-11(17)18-10)9(6-4-2)12(13,14)15/h4-6,10H,2-3,7H2,1H3,(H,16,17)/b8-5+,9-6+
InChIKeyUFIMOCQFTBXRDJ-XVYDYJIPSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(3E,5E)-5-(trifluoromethyl)octa-3,5,7-trien-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(3E,5E)-5-(trifluoromethyl)octa-3,5,7-trien-4-yl]-1,3-oxazolidin-2-one (CID 143177140) is 5-[(3E,5E)-5-(trifluoromethyl)octa-3,5,7-trien-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(3E,5E)-5-(trifluoromethyl)octa-3,5,7-trien-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(3E,5E)-5-(trifluoromethyl)octa-3,5,7-trien-4-yl]-1,3-oxazolidin-2-one is C=C/C=C(C(=C/CC)\C1CNC(=O)O1)/C(F)(F)F.
What is the InChIKey of 5-[(3E,5E)-5-(trifluoromethyl)octa-3,5,7-trien-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is UFIMOCQFTBXRDJ-XVYDYJIPSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-3-5-8(10-7-16-11(17)18-10)9(6-4-2)12(13,14)15/h4-6,10H,2-3,7H2,1H3,(H,16,17)/b8-5+,9-6+.
What are the key properties of 5-[(3E,5E)-5-(trifluoromethyl)octa-3,5,7-trien-4-yl]-1,3-oxazolidin-2-one?
5-[(3E,5E)-5-(trifluoromethyl)octa-3,5,7-trien-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 261.24 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3E,5E)-5-(trifluoromethyl)octa-3,5,7-trien-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 143177140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).