(3Z,5E)-7,7,7-trifluoro-3-methylhepta-1,3,5-triene

C8H9F3 — CID 89192283

IUPAC(3Z,5E)-7,7,7-trifluoro-3-methylhepta-1,3,5-triene
SMILESC=C/C(C)=C\C=C\C(F)(F)F
InChIInChI=1S/C8H9F3/c1-3-7(2)5-4-6-8(9,10)11/h3-6H,1H2,2H3/b6-4+,7-5-
InChIKeyLWKDQGFZWOSTCE-GUBXDBFYSA-N
MW162.15 g/mol
LogP3.24
Rot. Bonds2

About (3Z,5E)-7,7,7-trifluoro-3-methylhepta-1,3,5-triene

(3Z,5E)-7,7,7-trifluoro-3-methylhepta-1,3,5-triene (PubChem CID 89192283) has the molecular formula C8H9F3 and a molecular weight of 162.15 g/mol. Its IUPAC name is (3Z,5E)-7,7,7-trifluoro-3-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-7,7,7-trifluoro-3-methylhepta-1,3,5-triene
PubChem CID89192283
Molecular FormulaC8H9F3
Molecular Weight162.15 g/mol
Exact Mass162.07
IUPAC Name(3Z,5E)-7,7,7-trifluoro-3-methylhepta-1,3,5-triene
SMILESC=C/C(C)=C\C=C\C(F)(F)F
InChIInChI=1S/C8H9F3/c1-3-7(2)5-4-6-8(9,10)11/h3-6H,1H2,2H3/b6-4+,7-5-
InChIKeyLWKDQGFZWOSTCE-GUBXDBFYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 53.24
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

(3Z,5Z)-8,8,8-trifluoro-3-methylocta-1,3,5-triene
CID 142246512
(1E,3Z)-1-chloro-4-methylhexa-1,3,5-triene
CID 87415346
(2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine
CID 88558934
(3Z,5Z)-3-methylnona-1,3,5-triene
CID 144680511
3-methylnona-1,3,5-triene
CID 154088357
3,7-dimethylnona-1,3,5,7-tetraene
CID 54076671
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
methane;(3E,5Z,7Z)-3-methylnona-1,3,5,7-tetraene
CID 144724119
(3Z,5E)-3,7-dimethylocta-1,3,5-triene
CID 6436632
1,1,1,6,6,6-hexafluorohexa-2,4-diene
CID 71367258
(Z)-but-2-ene;(3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraene
CID 163402506
fluoroform;(3Z)-3-methylhexa-1,3,5-triene
CID 142106535

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-7,7,7-trifluoro-3-methylhepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-7,7,7-trifluoro-3-methylhepta-1,3,5-triene (CID 89192283) is (3Z,5E)-7,7,7-trifluoro-3-methylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-7,7,7-trifluoro-3-methylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-7,7,7-trifluoro-3-methylhepta-1,3,5-triene is C=C/C(C)=C\C=C\C(F)(F)F.
What is the InChIKey of (3Z,5E)-7,7,7-trifluoro-3-methylhepta-1,3,5-triene?
The InChIKey is LWKDQGFZWOSTCE-GUBXDBFYSA-N. The full InChI is InChI=1S/C8H9F3/c1-3-7(2)5-4-6-8(9,10)11/h3-6H,1H2,2H3/b6-4+,7-5-.
What are the key properties of (3Z,5E)-7,7,7-trifluoro-3-methylhepta-1,3,5-triene?
(3Z,5E)-7,7,7-trifluoro-3-methylhepta-1,3,5-triene has a molecular weight of 162.15 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-7,7,7-trifluoro-3-methylhepta-1,3,5-triene is sourced from PubChem (CID 89192283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).