(3Z,5R)-5-methyl-2-(trifluoromethyl)octa-1,3,7-triene

C10H13F3 — CID 89355413

IUPAC(3Z,5R)-5-methyl-2-(trifluoromethyl)octa-1,3,7-triene
SMILESC=CC[C@@H](C)/C=C\C(=C)C(F)(F)F
InChIInChI=1S/C10H13F3/c1-4-5-8(2)6-7-9(3)10(11,12)13/h4,6-8H,1,3,5H2,2H3/b7-6-/t8-/m1/s1
InChIKeyBZKJREKYVRBRKE-NFXKFNAJSA-N
MW190.21 g/mol
LogP3.87
Rot. Bonds4

About (3Z,5R)-5-methyl-2-(trifluoromethyl)octa-1,3,7-triene

(3Z,5R)-5-methyl-2-(trifluoromethyl)octa-1,3,7-triene (PubChem CID 89355413) has the molecular formula C10H13F3 and a molecular weight of 190.21 g/mol. Its IUPAC name is (3Z,5R)-5-methyl-2-(trifluoromethyl)octa-1,3,7-triene.

Molecular Properties

Compound Name(3Z,5R)-5-methyl-2-(trifluoromethyl)octa-1,3,7-triene
PubChem CID89355413
Molecular FormulaC10H13F3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name(3Z,5R)-5-methyl-2-(trifluoromethyl)octa-1,3,7-triene
SMILESC=CC[C@@H](C)/C=C\C(=C)C(F)(F)F
InChIInChI=1S/C10H13F3/c1-4-5-8(2)6-7-9(3)10(11,12)13/h4,6-8H,1,3,5H2,2H3/b7-6-/t8-/m1/s1
InChIKeyBZKJREKYVRBRKE-NFXKFNAJSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5R)-5-methyl-2-(trifluoromethyl)octa-1,3,7-triene?
The IUPAC name of (3Z,5R)-5-methyl-2-(trifluoromethyl)octa-1,3,7-triene (CID 89355413) is (3Z,5R)-5-methyl-2-(trifluoromethyl)octa-1,3,7-triene.
What is the SMILES notation for (3Z,5R)-5-methyl-2-(trifluoromethyl)octa-1,3,7-triene?
The canonical SMILES for (3Z,5R)-5-methyl-2-(trifluoromethyl)octa-1,3,7-triene is C=CC[C@@H](C)/C=C\C(=C)C(F)(F)F.
What is the InChIKey of (3Z,5R)-5-methyl-2-(trifluoromethyl)octa-1,3,7-triene?
The InChIKey is BZKJREKYVRBRKE-NFXKFNAJSA-N. The full InChI is InChI=1S/C10H13F3/c1-4-5-8(2)6-7-9(3)10(11,12)13/h4,6-8H,1,3,5H2,2H3/b7-6-/t8-/m1/s1.
What are the key properties of (3Z,5R)-5-methyl-2-(trifluoromethyl)octa-1,3,7-triene?
(3Z,5R)-5-methyl-2-(trifluoromethyl)octa-1,3,7-triene has a molecular weight of 190.21 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5R)-5-methyl-2-(trifluoromethyl)octa-1,3,7-triene is sourced from PubChem (CID 89355413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).