(E)-4-fluorohept-4-en-1-yn-3-ol

C7H9FO — CID 88636665

IUPAC(E)-4-fluorohept-4-en-1-yn-3-ol
SMILESC#CC(O)/C(F)=C\CC
InChIInChI=1S/C7H9FO/c1-3-5-6(8)7(9)4-2/h2,5,7,9H,3H2,1H3/b6-5+
InChIKeyOFGHDGCVFXCCSW-AATRIKPKSA-N
MW128.15 g/mol
LogP1.24
Rot. Bonds2

About (E)-4-fluorohept-4-en-1-yn-3-ol

(E)-4-fluorohept-4-en-1-yn-3-ol (PubChem CID 88636665) has the molecular formula C7H9FO and a molecular weight of 128.15 g/mol. Its IUPAC name is (E)-4-fluorohept-4-en-1-yn-3-ol.

Molecular Properties

Compound Name(E)-4-fluorohept-4-en-1-yn-3-ol
PubChem CID88636665
Molecular FormulaC7H9FO
Molecular Weight128.15 g/mol
Exact Mass128.06
IUPAC Name(E)-4-fluorohept-4-en-1-yn-3-ol
SMILESC#CC(O)/C(F)=C\CC
InChIInChI=1S/C7H9FO/c1-3-5-6(8)7(9)4-2/h2,5,7,9H,3H2,1H3/b6-5+
InChIKeyOFGHDGCVFXCCSW-AATRIKPKSA-N
XLogP1.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-fluorohept-4-en-1-yn-3-ol?
The IUPAC name of (E)-4-fluorohept-4-en-1-yn-3-ol (CID 88636665) is (E)-4-fluorohept-4-en-1-yn-3-ol.
What is the SMILES notation for (E)-4-fluorohept-4-en-1-yn-3-ol?
The canonical SMILES for (E)-4-fluorohept-4-en-1-yn-3-ol is C#CC(O)/C(F)=C\CC.
What is the InChIKey of (E)-4-fluorohept-4-en-1-yn-3-ol?
The InChIKey is OFGHDGCVFXCCSW-AATRIKPKSA-N. The full InChI is InChI=1S/C7H9FO/c1-3-5-6(8)7(9)4-2/h2,5,7,9H,3H2,1H3/b6-5+.
What are the key properties of (E)-4-fluorohept-4-en-1-yn-3-ol?
(E)-4-fluorohept-4-en-1-yn-3-ol has a molecular weight of 128.15 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluorohept-4-en-1-yn-3-ol is sourced from PubChem (CID 88636665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).