(3E)-2-fluoro-3-propoxypenta-1,3-diene

C8H13FO — CID 143775702

IUPAC(3E)-2-fluoro-3-propoxypenta-1,3-diene
SMILESC=C(F)/C(=C\C)OCCC
InChIInChI=1S/C8H13FO/c1-4-6-10-8(5-2)7(3)9/h5H,3-4,6H2,1-2H3/b8-5+
InChIKeyYSBJPOJZFDGZNL-VMPITWQZSA-N
MW144.19 g/mol
LogP2.80
Rot. Bonds4

About (3E)-2-fluoro-3-propoxypenta-1,3-diene

(3E)-2-fluoro-3-propoxypenta-1,3-diene (PubChem CID 143775702) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is (3E)-2-fluoro-3-propoxypenta-1,3-diene.

Molecular Properties

Compound Name(3E)-2-fluoro-3-propoxypenta-1,3-diene
PubChem CID143775702
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name(3E)-2-fluoro-3-propoxypenta-1,3-diene
SMILESC=C(F)/C(=C\C)OCCC
InChIInChI=1S/C8H13FO/c1-4-6-10-8(5-2)7(3)9/h5H,3-4,6H2,1-2H3/b8-5+
InChIKeyYSBJPOJZFDGZNL-VMPITWQZSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-Ethoxypenta-1,3-diene
CID 54545929
(2E,4Z)-3-[(1E,3E)-4-fluoropenta-1,3-dienoxy]hexa-2,4-diene
CID 89030803
(3E,5E)-6-fluoro-3-(3-methoxypropoxy)hepta-1,3,5-triene
CID 89318749
(3Z,5Z)-4-fluoro-3-methoxyhepta-1,3,5-triene
CID 89812509
(3E)-2-(2-fluoroethoxy)-3-methoxypenta-1,3-diene
CID 90061486
3-(2,2,2-Trifluoroethoxy)penta-1,3-diene
CID 90927391
6-Fluoro-3-methoxyhepta-1,3,5-triene
CID 91504887
3,4-Diethoxy-2-fluorohexa-2,4-diene
CID 123318263
3-But-2-en-2-yloxy-6-fluorohepta-1,3,5-triene
CID 123452704
3-Ethoxy-2-fluorohexa-1,3,5-triene
CID 123454257
2-(2-Fluoroethoxy)-3-methoxypenta-1,3-diene
CID 123737328
4-Fluoro-2-propan-2-yloxyhexa-2,4-diene
CID 123772134

Frequently Asked Questions

What is the IUPAC name of (3E)-2-fluoro-3-propoxypenta-1,3-diene?
The IUPAC name of (3E)-2-fluoro-3-propoxypenta-1,3-diene (CID 143775702) is (3E)-2-fluoro-3-propoxypenta-1,3-diene.
What is the SMILES notation for (3E)-2-fluoro-3-propoxypenta-1,3-diene?
The canonical SMILES for (3E)-2-fluoro-3-propoxypenta-1,3-diene is C=C(F)/C(=C\C)OCCC.
What is the InChIKey of (3E)-2-fluoro-3-propoxypenta-1,3-diene?
The InChIKey is YSBJPOJZFDGZNL-VMPITWQZSA-N. The full InChI is InChI=1S/C8H13FO/c1-4-6-10-8(5-2)7(3)9/h5H,3-4,6H2,1-2H3/b8-5+.
What are the key properties of (3E)-2-fluoro-3-propoxypenta-1,3-diene?
(3E)-2-fluoro-3-propoxypenta-1,3-diene has a molecular weight of 144.19 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-fluoro-3-propoxypenta-1,3-diene is sourced from PubChem (CID 143775702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).