(Z)-4-(1-fluoroethenyl)hept-3-en-1-yne

C9H11F — CID 88892954

IUPAC(Z)-4-(1-fluoroethenyl)hept-3-en-1-yne
SMILESC#C/C=C(/CCC)C(=C)F
InChIInChI=1S/C9H11F/c1-4-6-9(7-5-2)8(3)10/h1,6H,3,5,7H2,2H3/b9-6-
InChIKeyWXJFBHKHTRQKIQ-TWGQIWQCSA-N
MW138.19 g/mol
LogP2.83
Rot. Bonds3

About (Z)-4-(1-fluoroethenyl)hept-3-en-1-yne

(Z)-4-(1-fluoroethenyl)hept-3-en-1-yne (PubChem CID 88892954) has the molecular formula C9H11F and a molecular weight of 138.19 g/mol. Its IUPAC name is (Z)-4-(1-fluoroethenyl)hept-3-en-1-yne.

Molecular Properties

Compound Name(Z)-4-(1-fluoroethenyl)hept-3-en-1-yne
PubChem CID88892954
Molecular FormulaC9H11F
Molecular Weight138.19 g/mol
Exact Mass138.08
IUPAC Name(Z)-4-(1-fluoroethenyl)hept-3-en-1-yne
SMILESC#C/C=C(/CCC)C(=C)F
InChIInChI=1S/C9H11F/c1-4-6-9(7-5-2)8(3)10/h1,6H,3,5,7H2,2H3/b9-6-
InChIKeyWXJFBHKHTRQKIQ-TWGQIWQCSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 52.83
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 (Z)-4-(1-fluoroethenyl)hept-3-en-1-yne?
The IUPAC name of (Z)-4-(1-fluoroethenyl)hept-3-en-1-yne (CID 88892954) is (Z)-4-(1-fluoroethenyl)hept-3-en-1-yne.
What is the SMILES notation for (Z)-4-(1-fluoroethenyl)hept-3-en-1-yne?
The canonical SMILES for (Z)-4-(1-fluoroethenyl)hept-3-en-1-yne is C#C/C=C(/CCC)C(=C)F.
What is the InChIKey of (Z)-4-(1-fluoroethenyl)hept-3-en-1-yne?
The InChIKey is WXJFBHKHTRQKIQ-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H11F/c1-4-6-9(7-5-2)8(3)10/h1,6H,3,5,7H2,2H3/b9-6-.
What are the key properties of (Z)-4-(1-fluoroethenyl)hept-3-en-1-yne?
(Z)-4-(1-fluoroethenyl)hept-3-en-1-yne has a molecular weight of 138.19 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(1-fluoroethenyl)hept-3-en-1-yne is sourced from PubChem (CID 88892954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).