(3Z,5Z)-3-chloro-4-(2-fluoroethoxy)octa-1,3,5-triene

C10H14ClFO — CID 88860273

IUPAC(3Z,5Z)-3-chloro-4-(2-fluoroethoxy)octa-1,3,5-triene
SMILESC=C/C(Cl)=C(\C=C/CC)OCCF
InChIInChI=1S/C10H14ClFO/c1-3-5-6-10(9(11)4-2)13-8-7-12/h4-6H,2-3,7-8H2,1H3/b6-5-,10-9-
InChIKeyLDPWYBGHYQDVGJ-WBHJMADESA-N
MW204.67 g/mol
LogP3.58
Rot. Bonds6

About (3Z,5Z)-3-chloro-4-(2-fluoroethoxy)octa-1,3,5-triene

(3Z,5Z)-3-chloro-4-(2-fluoroethoxy)octa-1,3,5-triene (PubChem CID 88860273) has the molecular formula C10H14ClFO and a molecular weight of 204.67 g/mol. Its IUPAC name is (3Z,5Z)-3-chloro-4-(2-fluoroethoxy)octa-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-3-chloro-4-(2-fluoroethoxy)octa-1,3,5-triene
PubChem CID88860273
Molecular FormulaC10H14ClFO
Molecular Weight204.67 g/mol
Exact Mass204.07
IUPAC Name(3Z,5Z)-3-chloro-4-(2-fluoroethoxy)octa-1,3,5-triene
SMILESC=C/C(Cl)=C(\C=C/CC)OCCF
InChIInChI=1S/C10H14ClFO/c1-3-5-6-10(9(11)4-2)13-8-7-12/h4-6H,2-3,7-8H2,1H3/b6-5-,10-9-
InChIKeyLDPWYBGHYQDVGJ-WBHJMADESA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.67
LogP ≤ 53.58
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'}

Analyze (3Z,5Z)-3-chloro-4-(2-fluoroethoxy)octa-1,3,5-triene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-chloro-4-(2-fluoroethoxy)octa-1,3,5-triene?
The IUPAC name of (3Z,5Z)-3-chloro-4-(2-fluoroethoxy)octa-1,3,5-triene (CID 88860273) is (3Z,5Z)-3-chloro-4-(2-fluoroethoxy)octa-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-3-chloro-4-(2-fluoroethoxy)octa-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-3-chloro-4-(2-fluoroethoxy)octa-1,3,5-triene is C=C/C(Cl)=C(\C=C/CC)OCCF.
What is the InChIKey of (3Z,5Z)-3-chloro-4-(2-fluoroethoxy)octa-1,3,5-triene?
The InChIKey is LDPWYBGHYQDVGJ-WBHJMADESA-N. The full InChI is InChI=1S/C10H14ClFO/c1-3-5-6-10(9(11)4-2)13-8-7-12/h4-6H,2-3,7-8H2,1H3/b6-5-,10-9-.
What are the key properties of (3Z,5Z)-3-chloro-4-(2-fluoroethoxy)octa-1,3,5-triene?
(3Z,5Z)-3-chloro-4-(2-fluoroethoxy)octa-1,3,5-triene has a molecular weight of 204.67 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-chloro-4-(2-fluoroethoxy)octa-1,3,5-triene is sourced from PubChem (CID 88860273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).