(3Z,5E)-3-propan-2-yl-5-(trifluoromethyl)hepta-1,3,5-triene

C11H15F3 — CID 89177432

IUPAC(3Z,5E)-3-propan-2-yl-5-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=C/C(=C\C(=C/C)C(F)(F)F)C(C)C
InChIInChI=1S/C11H15F3/c1-5-9(8(3)4)7-10(6-2)11(12,13)14/h5-8H,1H2,2-4H3/b9-7+,10-6+
InChIKeyCHIAFSRIXOIBGC-IDXDHNASSA-N
MW204.23 g/mol
LogP4.26
Rot. Bonds3

About (3Z,5E)-3-propan-2-yl-5-(trifluoromethyl)hepta-1,3,5-triene

(3Z,5E)-3-propan-2-yl-5-(trifluoromethyl)hepta-1,3,5-triene (PubChem CID 89177432) has the molecular formula C11H15F3 and a molecular weight of 204.23 g/mol. Its IUPAC name is (3Z,5E)-3-propan-2-yl-5-(trifluoromethyl)hepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-3-propan-2-yl-5-(trifluoromethyl)hepta-1,3,5-triene
PubChem CID89177432
Molecular FormulaC11H15F3
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name(3Z,5E)-3-propan-2-yl-5-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=C/C(=C\C(=C/C)C(F)(F)F)C(C)C
InChIInChI=1S/C11H15F3/c1-5-9(8(3)4)7-10(6-2)11(12,13)14/h5-8H,1H2,2-4H3/b9-7+,10-6+
InChIKeyCHIAFSRIXOIBGC-IDXDHNASSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-3-propan-2-yl-5-(trifluoromethyl)hepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-3-propan-2-yl-5-(trifluoromethyl)hepta-1,3,5-triene (CID 89177432) is (3Z,5E)-3-propan-2-yl-5-(trifluoromethyl)hepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-3-propan-2-yl-5-(trifluoromethyl)hepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-3-propan-2-yl-5-(trifluoromethyl)hepta-1,3,5-triene is C=C/C(=C\C(=C/C)C(F)(F)F)C(C)C.
What is the InChIKey of (3Z,5E)-3-propan-2-yl-5-(trifluoromethyl)hepta-1,3,5-triene?
The InChIKey is CHIAFSRIXOIBGC-IDXDHNASSA-N. The full InChI is InChI=1S/C11H15F3/c1-5-9(8(3)4)7-10(6-2)11(12,13)14/h5-8H,1H2,2-4H3/b9-7+,10-6+.
What are the key properties of (3Z,5E)-3-propan-2-yl-5-(trifluoromethyl)hepta-1,3,5-triene?
(3Z,5E)-3-propan-2-yl-5-(trifluoromethyl)hepta-1,3,5-triene has a molecular weight of 204.23 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-3-propan-2-yl-5-(trifluoromethyl)hepta-1,3,5-triene is sourced from PubChem (CID 89177432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).