(1Z,3Z)-7,7,7-trifluoro-1-methoxyhepta-1,3-diene

C8H11F3O — CID 174375453

IUPAC(1Z,3Z)-7,7,7-trifluoro-1-methoxyhepta-1,3-diene
SMILESCO/C=C\C=C/CCC(F)(F)F
InChIInChI=1S/C8H11F3O/c1-12-7-5-3-2-4-6-8(9,10)11/h2-3,5,7H,4,6H2,1H3/b3-2-,7-5-
InChIKeyVLTXIELOMBAHKC-ZSBGFAJOSA-N
MW180.17 g/mol
LogP3.05
Rot. Bonds4

About (1Z,3Z)-7,7,7-trifluoro-1-methoxyhepta-1,3-diene

(1Z,3Z)-7,7,7-trifluoro-1-methoxyhepta-1,3-diene (PubChem CID 174375453) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is (1Z,3Z)-7,7,7-trifluoro-1-methoxyhepta-1,3-diene.

Molecular Properties

Compound Name(1Z,3Z)-7,7,7-trifluoro-1-methoxyhepta-1,3-diene
PubChem CID174375453
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name(1Z,3Z)-7,7,7-trifluoro-1-methoxyhepta-1,3-diene
SMILESCO/C=C\C=C/CCC(F)(F)F
InChIInChI=1S/C8H11F3O/c1-12-7-5-3-2-4-6-8(9,10)11/h2-3,5,7H,4,6H2,1H3/b3-2-,7-5-
InChIKeyVLTXIELOMBAHKC-ZSBGFAJOSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-7,7,7-trifluoro-1-methoxyhepta-1,3-diene?
The IUPAC name of (1Z,3Z)-7,7,7-trifluoro-1-methoxyhepta-1,3-diene (CID 174375453) is (1Z,3Z)-7,7,7-trifluoro-1-methoxyhepta-1,3-diene.
What is the SMILES notation for (1Z,3Z)-7,7,7-trifluoro-1-methoxyhepta-1,3-diene?
The canonical SMILES for (1Z,3Z)-7,7,7-trifluoro-1-methoxyhepta-1,3-diene is CO/C=C\C=C/CCC(F)(F)F.
What is the InChIKey of (1Z,3Z)-7,7,7-trifluoro-1-methoxyhepta-1,3-diene?
The InChIKey is VLTXIELOMBAHKC-ZSBGFAJOSA-N. The full InChI is InChI=1S/C8H11F3O/c1-12-7-5-3-2-4-6-8(9,10)11/h2-3,5,7H,4,6H2,1H3/b3-2-,7-5-.
What are the key properties of (1Z,3Z)-7,7,7-trifluoro-1-methoxyhepta-1,3-diene?
(1Z,3Z)-7,7,7-trifluoro-1-methoxyhepta-1,3-diene has a molecular weight of 180.17 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-7,7,7-trifluoro-1-methoxyhepta-1,3-diene is sourced from PubChem (CID 174375453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).