(2E,5Z)-3-(trifluoromethyl)hepta-2,5-diene

C8H11F3 — CID 134862047

IUPAC(2E,5Z)-3-(trifluoromethyl)hepta-2,5-diene
SMILESC/C=C\C/C(=C\C)C(F)(F)F
InChIInChI=1S/C8H11F3/c1-3-5-6-7(4-2)8(9,10)11/h3-5H,6H2,1-2H3/b5-3-,7-4+
InChIKeyDEDUGKUVUIXEFH-XKSOLRDRSA-N
MW164.17 g/mol
LogP3.46
Rot. Bonds2

About (2E,5Z)-3-(trifluoromethyl)hepta-2,5-diene

(2E,5Z)-3-(trifluoromethyl)hepta-2,5-diene (PubChem CID 134862047) has the molecular formula C8H11F3 and a molecular weight of 164.17 g/mol. Its IUPAC name is (2E,5Z)-3-(trifluoromethyl)hepta-2,5-diene.

Molecular Properties

Compound Name(2E,5Z)-3-(trifluoromethyl)hepta-2,5-diene
PubChem CID134862047
Molecular FormulaC8H11F3
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name(2E,5Z)-3-(trifluoromethyl)hepta-2,5-diene
SMILESC/C=C\C/C(=C\C)C(F)(F)F
InChIInChI=1S/C8H11F3/c1-3-5-6-7(4-2)8(9,10)11/h3-5H,6H2,1-2H3/b5-3-,7-4+
InChIKeyDEDUGKUVUIXEFH-XKSOLRDRSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-3-(trifluoromethyl)hepta-2,5-diene?
The IUPAC name of (2E,5Z)-3-(trifluoromethyl)hepta-2,5-diene (CID 134862047) is (2E,5Z)-3-(trifluoromethyl)hepta-2,5-diene.
What is the SMILES notation for (2E,5Z)-3-(trifluoromethyl)hepta-2,5-diene?
The canonical SMILES for (2E,5Z)-3-(trifluoromethyl)hepta-2,5-diene is C/C=C\C/C(=C\C)C(F)(F)F.
What is the InChIKey of (2E,5Z)-3-(trifluoromethyl)hepta-2,5-diene?
The InChIKey is DEDUGKUVUIXEFH-XKSOLRDRSA-N. The full InChI is InChI=1S/C8H11F3/c1-3-5-6-7(4-2)8(9,10)11/h3-5H,6H2,1-2H3/b5-3-,7-4+.
What are the key properties of (2E,5Z)-3-(trifluoromethyl)hepta-2,5-diene?
(2E,5Z)-3-(trifluoromethyl)hepta-2,5-diene has a molecular weight of 164.17 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-3-(trifluoromethyl)hepta-2,5-diene is sourced from PubChem (CID 134862047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).