(3Z,5Z)-8,8,8-trifluoro-3-methylocta-1,3,5-triene

C9H11F3 — CID 142246512

IUPAC(3Z,5Z)-8,8,8-trifluoro-3-methylocta-1,3,5-triene
SMILESC=C/C(C)=C\C=C/CC(F)(F)F
InChIInChI=1S/C9H11F3/c1-3-8(2)6-4-5-7-9(10,11)12/h3-6H,1,7H2,2H3/b5-4-,8-6-
InChIKeyHTUIFTHDCLLHNB-NADLECRISA-N
MW176.18 g/mol
LogP3.63
Rot. Bonds3

About (3Z,5Z)-8,8,8-trifluoro-3-methylocta-1,3,5-triene

(3Z,5Z)-8,8,8-trifluoro-3-methylocta-1,3,5-triene (PubChem CID 142246512) has the molecular formula C9H11F3 and a molecular weight of 176.18 g/mol. Its IUPAC name is (3Z,5Z)-8,8,8-trifluoro-3-methylocta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-8,8,8-trifluoro-3-methylocta-1,3,5-triene
PubChem CID142246512
Molecular FormulaC9H11F3
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name(3Z,5Z)-8,8,8-trifluoro-3-methylocta-1,3,5-triene
SMILESC=C/C(C)=C\C=C/CC(F)(F)F
InChIInChI=1S/C9H11F3/c1-3-8(2)6-4-5-7-9(10,11)12/h3-6H,1,7H2,2H3/b5-4-,8-6-
InChIKeyHTUIFTHDCLLHNB-NADLECRISA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-8,8,8-trifluoro-3-(trifluoromethyl)octa-1,3,5-triene
CID 134504364
(3Z,5E)-7,7,7-trifluoro-3-methylhepta-1,3,5-triene
CID 89192283
(3Z,5Z)-3-methylnona-1,3,5-triene
CID 144680511
3-methylnona-1,3,5-triene
CID 154088357
7,7,7-trifluoro-3-methylhepta-2,4-diene
CID 123499921
(1E,3Z)-1-chloro-4-methylhexa-1,3,5-triene
CID 87415346
ethane;(3Z,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-triene
CID 142204097
(2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine
CID 88558934
3,7-dimethylnona-1,3,5,7-tetraene
CID 54076671
(3Z,5E)-9-fluoro-3,6,9-trimethyldeca-1,3,5-triene
CID 167003915
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-ol
CID 88563032

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-8,8,8-trifluoro-3-methylocta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-8,8,8-trifluoro-3-methylocta-1,3,5-triene (CID 142246512) is (3Z,5Z)-8,8,8-trifluoro-3-methylocta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-8,8,8-trifluoro-3-methylocta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-8,8,8-trifluoro-3-methylocta-1,3,5-triene is C=C/C(C)=C\C=C/CC(F)(F)F.
What is the InChIKey of (3Z,5Z)-8,8,8-trifluoro-3-methylocta-1,3,5-triene?
The InChIKey is HTUIFTHDCLLHNB-NADLECRISA-N. The full InChI is InChI=1S/C9H11F3/c1-3-8(2)6-4-5-7-9(10,11)12/h3-6H,1,7H2,2H3/b5-4-,8-6-.
What are the key properties of (3Z,5Z)-8,8,8-trifluoro-3-methylocta-1,3,5-triene?
(3Z,5Z)-8,8,8-trifluoro-3-methylocta-1,3,5-triene has a molecular weight of 176.18 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-8,8,8-trifluoro-3-methylocta-1,3,5-triene is sourced from PubChem (CID 142246512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).