(3E)-5-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol

C9H13FO — CID 167213981

IUPAC(3E)-5-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
SMILESC=C(F)/C=C(\C=C/C)C(C)O
InChIInChI=1S/C9H13FO/c1-4-5-9(8(3)11)6-7(2)10/h4-6,8,11H,2H2,1,3H3/b5-4-,9-6+
InChIKeyFETYAMUYUKPXJE-KMOPYBJPSA-N
MW156.20 g/mol
LogP2.35
Rot. Bonds3

About (3E)-5-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol

(3E)-5-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol (PubChem CID 167213981) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is (3E)-5-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E)-5-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
PubChem CID167213981
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name(3E)-5-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
SMILESC=C(F)/C=C(\C=C/C)C(C)O
InChIInChI=1S/C9H13FO/c1-4-5-9(8(3)11)6-7(2)10/h4-6,8,11H,2H2,1,3H3/b5-4-,9-6+
InChIKeyFETYAMUYUKPXJE-KMOPYBJPSA-N
XLogP2.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-5-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E)-5-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 142105650
(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 87112963
(3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 144683889
(3E,5Z)-2,4-difluoro-5-propan-2-ylhepta-1,3,5-triene
CID 89217781
(3Z,5E)-2,5-difluoro-4-propan-2-ylhepta-1,3,5-triene
CID 149203613
(4Z)-1,1-difluoro-3-methylidenehexa-1,4-diene
CID 144675274
(3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene
CID 142091470
(Z)-3-fluoropent-3-en-2-ol
CID 152906819
(Z)-2-methyl-N-(3-methylbut-1-en-2-yl)hex-4-en-3-imine
CID 130348007
6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene
CID 123639498
(3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene
CID 143399324
ethene;(2E,4Z)-3-fluorohexa-2,4-diene
CID 143779998

Frequently Asked Questions

What is the IUPAC name of (3E)-5-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol?
The IUPAC name of (3E)-5-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol (CID 167213981) is (3E)-5-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol.
What is the SMILES notation for (3E)-5-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol?
The canonical SMILES for (3E)-5-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol is C=C(F)/C=C(\C=C/C)C(C)O.
What is the InChIKey of (3E)-5-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol?
The InChIKey is FETYAMUYUKPXJE-KMOPYBJPSA-N. The full InChI is InChI=1S/C9H13FO/c1-4-5-9(8(3)11)6-7(2)10/h4-6,8,11H,2H2,1,3H3/b5-4-,9-6+.
What are the key properties of (3E)-5-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol?
(3E)-5-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol has a molecular weight of 156.20 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol is sourced from PubChem (CID 167213981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).