(3Z,5E)-7-methylidene-5-(trifluoromethyl)nona-3,5-dien-1,8-diyne

C11H7F3 — CID 121460360

IUPAC(3Z,5E)-7-methylidene-5-(trifluoromethyl)nona-3,5-dien-1,8-diyne
SMILESC#C/C=C\C(=C/C(=C)C#C)C(F)(F)F
InChIInChI=1S/C11H7F3/c1-4-6-7-10(11(12,13)14)8-9(3)5-2/h1-2,6-8H,3H2/b7-6-,10-8+
InChIKeyWCFMUCUNTZXUAN-VAAURPRASA-N
MW196.17 g/mol
LogP2.85
Rot. Bonds2

About (3Z,5E)-7-methylidene-5-(trifluoromethyl)nona-3,5-dien-1,8-diyne

(3Z,5E)-7-methylidene-5-(trifluoromethyl)nona-3,5-dien-1,8-diyne (PubChem CID 121460360) has the molecular formula C11H7F3 and a molecular weight of 196.17 g/mol. Its IUPAC name is (3Z,5E)-7-methylidene-5-(trifluoromethyl)nona-3,5-dien-1,8-diyne.

Molecular Properties

Compound Name(3Z,5E)-7-methylidene-5-(trifluoromethyl)nona-3,5-dien-1,8-diyne
PubChem CID121460360
Molecular FormulaC11H7F3
Molecular Weight196.17 g/mol
Exact Mass196.05
IUPAC Name(3Z,5E)-7-methylidene-5-(trifluoromethyl)nona-3,5-dien-1,8-diyne
SMILESC#C/C=C\C(=C/C(=C)C#C)C(F)(F)F
InChIInChI=1S/C11H7F3/c1-4-6-7-10(11(12,13)14)8-9(3)5-2/h1-2,6-8H,3H2/b7-6-,10-8+
InChIKeyWCFMUCUNTZXUAN-VAAURPRASA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-7-methylidene-5-(trifluoromethyl)nona-3,5-dien-1,8-diyne?
The IUPAC name of (3Z,5E)-7-methylidene-5-(trifluoromethyl)nona-3,5-dien-1,8-diyne (CID 121460360) is (3Z,5E)-7-methylidene-5-(trifluoromethyl)nona-3,5-dien-1,8-diyne.
What is the SMILES notation for (3Z,5E)-7-methylidene-5-(trifluoromethyl)nona-3,5-dien-1,8-diyne?
The canonical SMILES for (3Z,5E)-7-methylidene-5-(trifluoromethyl)nona-3,5-dien-1,8-diyne is C#C/C=C\C(=C/C(=C)C#C)C(F)(F)F.
What is the InChIKey of (3Z,5E)-7-methylidene-5-(trifluoromethyl)nona-3,5-dien-1,8-diyne?
The InChIKey is WCFMUCUNTZXUAN-VAAURPRASA-N. The full InChI is InChI=1S/C11H7F3/c1-4-6-7-10(11(12,13)14)8-9(3)5-2/h1-2,6-8H,3H2/b7-6-,10-8+.
What are the key properties of (3Z,5E)-7-methylidene-5-(trifluoromethyl)nona-3,5-dien-1,8-diyne?
(3Z,5E)-7-methylidene-5-(trifluoromethyl)nona-3,5-dien-1,8-diyne has a molecular weight of 196.17 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-7-methylidene-5-(trifluoromethyl)nona-3,5-dien-1,8-diyne is sourced from PubChem (CID 121460360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).