(2E)-2-[(E)-2-fluoro-3-methoxyprop-1-enyl]penta-2,4-dien-1-ol

C9H13FO2 — CID 89416423

IUPAC(2E)-2-[(E)-2-fluoro-3-methoxyprop-1-enyl]penta-2,4-dien-1-ol
SMILESC=C/C=C(\C=C(\F)COC)CO
InChIInChI=1S/C9H13FO2/c1-3-4-8(6-11)5-9(10)7-12-2/h3-5,11H,1,6-7H2,2H3/b8-4+,9-5+
InChIKeyDKHVMPJGJGFRSC-KBXRYBNXSA-N
MW172.20 g/mol
LogP1.59
Rot. Bonds5

About (2E)-2-[(E)-2-fluoro-3-methoxyprop-1-enyl]penta-2,4-dien-1-ol

(2E)-2-[(E)-2-fluoro-3-methoxyprop-1-enyl]penta-2,4-dien-1-ol (PubChem CID 89416423) has the molecular formula C9H13FO2 and a molecular weight of 172.20 g/mol. Its IUPAC name is (2E)-2-[(E)-2-fluoro-3-methoxyprop-1-enyl]penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E)-2-[(E)-2-fluoro-3-methoxyprop-1-enyl]penta-2,4-dien-1-ol
PubChem CID89416423
Molecular FormulaC9H13FO2
Molecular Weight172.20 g/mol
Exact Mass172.09
IUPAC Name(2E)-2-[(E)-2-fluoro-3-methoxyprop-1-enyl]penta-2,4-dien-1-ol
SMILESC=C/C=C(\C=C(\F)COC)CO
InChIInChI=1S/C9H13FO2/c1-3-4-8(6-11)5-9(10)7-12-2/h3-5,11H,1,6-7H2,2H3/b8-4+,9-5+
InChIKeyDKHVMPJGJGFRSC-KBXRYBNXSA-N
XLogP1.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-fluoro-3-methoxyprop-1-enyl]penta-2,4-dien-1-ol?
The IUPAC name of (2E)-2-[(E)-2-fluoro-3-methoxyprop-1-enyl]penta-2,4-dien-1-ol (CID 89416423) is (2E)-2-[(E)-2-fluoro-3-methoxyprop-1-enyl]penta-2,4-dien-1-ol.
What is the SMILES notation for (2E)-2-[(E)-2-fluoro-3-methoxyprop-1-enyl]penta-2,4-dien-1-ol?
The canonical SMILES for (2E)-2-[(E)-2-fluoro-3-methoxyprop-1-enyl]penta-2,4-dien-1-ol is C=C/C=C(\C=C(\F)COC)CO.
What is the InChIKey of (2E)-2-[(E)-2-fluoro-3-methoxyprop-1-enyl]penta-2,4-dien-1-ol?
The InChIKey is DKHVMPJGJGFRSC-KBXRYBNXSA-N. The full InChI is InChI=1S/C9H13FO2/c1-3-4-8(6-11)5-9(10)7-12-2/h3-5,11H,1,6-7H2,2H3/b8-4+,9-5+.
What are the key properties of (2E)-2-[(E)-2-fluoro-3-methoxyprop-1-enyl]penta-2,4-dien-1-ol?
(2E)-2-[(E)-2-fluoro-3-methoxyprop-1-enyl]penta-2,4-dien-1-ol has a molecular weight of 172.20 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-2-fluoro-3-methoxyprop-1-enyl]penta-2,4-dien-1-ol is sourced from PubChem (CID 89416423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).