(2E)-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dien-1-ol

C8H11FO — CID 89416556

IUPAC(2E)-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dien-1-ol
SMILESC=C/C=C(\C=C(/C)F)CO
InChIInChI=1S/C8H11FO/c1-3-4-8(6-10)5-7(2)9/h3-5,10H,1,6H2,2H3/b7-5+,8-4+
InChIKeyXPPNWYFFESIYHZ-JBVHCYJISA-N
MW142.17 g/mol
LogP1.96
Rot. Bonds3

About (2E)-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dien-1-ol

(2E)-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dien-1-ol (PubChem CID 89416556) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is (2E)-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E)-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dien-1-ol
PubChem CID89416556
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name(2E)-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dien-1-ol
SMILESC=C/C=C(\C=C(/C)F)CO
InChIInChI=1S/C8H11FO/c1-3-4-8(6-10)5-7(2)9/h3-5,10H,1,6H2,2H3/b7-5+,8-4+
InChIKeyXPPNWYFFESIYHZ-JBVHCYJISA-N
XLogP1.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dien-1-ol?
The IUPAC name of (2E)-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dien-1-ol (CID 89416556) is (2E)-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dien-1-ol.
What is the SMILES notation for (2E)-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dien-1-ol?
The canonical SMILES for (2E)-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dien-1-ol is C=C/C=C(\C=C(/C)F)CO.
What is the InChIKey of (2E)-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dien-1-ol?
The InChIKey is XPPNWYFFESIYHZ-JBVHCYJISA-N. The full InChI is InChI=1S/C8H11FO/c1-3-4-8(6-10)5-7(2)9/h3-5,10H,1,6H2,2H3/b7-5+,8-4+.
What are the key properties of (2E)-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dien-1-ol?
(2E)-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dien-1-ol has a molecular weight of 142.17 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dien-1-ol is sourced from PubChem (CID 89416556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).