(2E)-4-fluoro-2-prop-1-en-2-ylpenta-2,4-dien-1-ol

C8H11FO — CID 144678722

IUPAC(2E)-4-fluoro-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
SMILESC=C(F)/C=C(/CO)C(=C)C
InChIInChI=1S/C8H11FO/c1-6(2)8(5-10)4-7(3)9/h4,10H,1,3,5H2,2H3/b8-4-
InChIKeyNMZZVGPWZJAVDZ-YWEYNIOJSA-N
MW142.17 g/mol
LogP1.96
Rot. Bonds3

About (2E)-4-fluoro-2-prop-1-en-2-ylpenta-2,4-dien-1-ol

(2E)-4-fluoro-2-prop-1-en-2-ylpenta-2,4-dien-1-ol (PubChem CID 144678722) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is (2E)-4-fluoro-2-prop-1-en-2-ylpenta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E)-4-fluoro-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
PubChem CID144678722
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name(2E)-4-fluoro-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
SMILESC=C(F)/C=C(/CO)C(=C)C
InChIInChI=1S/C8H11FO/c1-6(2)8(5-10)4-7(3)9/h4,10H,1,3,5H2,2H3/b8-4-
InChIKeyNMZZVGPWZJAVDZ-YWEYNIOJSA-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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Related Compounds

(3E,5E)-2,4,6-trifluorohepta-1,3,5-triene
CID 118964187
ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
CID 144981154
(3Z)-3-ethyl-5-fluoro-2,6-dimethylhepta-1,3,5-triene
CID 145100268
2-methylprop-2-en-1-ol;zirconium
CID 88651592
(3E)-3-ethoxy-5-fluoro-2-methylhexa-1,3,5-triene
CID 143876439
(2E)-2-ethyl-4-fluoropenta-2,4-dienamide
CID 170178694
4-fluoro-2-(1-pent-4-ynoxyethenyl)penta-2,4-dien-1-ol
CID 123179146
(3Z)-2-fluoro-4-methyl-5-methylidenehepta-1,3-diene
CID 169164324
(3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 144683889
(3E,5E)-3-fluoro-5-prop-1-en-2-ylhepta-1,3,5-triene
CID 166713721
(2E,4E)-5-fluoro-2,6-dimethylhepta-2,4,6-trien-1-ol
CID 145002435
(3Z)-4-ethyl-2-fluorohexa-1,3,5-triene
CID 142052803

Frequently Asked Questions

What is the IUPAC name of (2E)-4-fluoro-2-prop-1-en-2-ylpenta-2,4-dien-1-ol?
The IUPAC name of (2E)-4-fluoro-2-prop-1-en-2-ylpenta-2,4-dien-1-ol (CID 144678722) is (2E)-4-fluoro-2-prop-1-en-2-ylpenta-2,4-dien-1-ol.
What is the SMILES notation for (2E)-4-fluoro-2-prop-1-en-2-ylpenta-2,4-dien-1-ol?
The canonical SMILES for (2E)-4-fluoro-2-prop-1-en-2-ylpenta-2,4-dien-1-ol is C=C(F)/C=C(/CO)C(=C)C.
What is the InChIKey of (2E)-4-fluoro-2-prop-1-en-2-ylpenta-2,4-dien-1-ol?
The InChIKey is NMZZVGPWZJAVDZ-YWEYNIOJSA-N. The full InChI is InChI=1S/C8H11FO/c1-6(2)8(5-10)4-7(3)9/h4,10H,1,3,5H2,2H3/b8-4-.
What are the key properties of (2E)-4-fluoro-2-prop-1-en-2-ylpenta-2,4-dien-1-ol?
(2E)-4-fluoro-2-prop-1-en-2-ylpenta-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)-4-fluoro-2-prop-1-en-2-ylpenta-2,4-dien-1-ol is sourced from PubChem (CID 144678722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).