1-[(Z)-2-chloro-2-fluoroethenoxy]dodecane

C14H26ClFO — CID 122378024

IUPAC1-[(Z)-2-chloro-2-fluoroethenoxy]dodecane
SMILESCCCCCCCCCCCCO/C=C(/F)Cl
InChIInChI=1S/C14H26ClFO/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14(15)16/h13H,2-12H2,1H3/b14-13+
InChIKeyLJXTXIQWGXCJBB-BUHFOSPRSA-N
MW264.81 g/mol
LogP5.93
Rot. Bonds12

About 1-[(Z)-2-chloro-2-fluoroethenoxy]dodecane

1-[(Z)-2-chloro-2-fluoroethenoxy]dodecane (PubChem CID 122378024) has the molecular formula C14H26ClFO and a molecular weight of 264.81 g/mol. Its IUPAC name is 1-[(Z)-2-chloro-2-fluoroethenoxy]dodecane.

Molecular Properties

Compound Name1-[(Z)-2-chloro-2-fluoroethenoxy]dodecane
PubChem CID122378024
Molecular FormulaC14H26ClFO
Molecular Weight264.81 g/mol
Exact Mass264.17
IUPAC Name1-[(Z)-2-chloro-2-fluoroethenoxy]dodecane
SMILESCCCCCCCCCCCCO/C=C(/F)Cl
InChIInChI=1S/C14H26ClFO/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14(15)16/h13H,2-12H2,1H3/b14-13+
InChIKeyLJXTXIQWGXCJBB-BUHFOSPRSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.81
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-chloro-2-fluoroethenoxy]dodecane?
The IUPAC name of 1-[(Z)-2-chloro-2-fluoroethenoxy]dodecane (CID 122378024) is 1-[(Z)-2-chloro-2-fluoroethenoxy]dodecane.
What is the SMILES notation for 1-[(Z)-2-chloro-2-fluoroethenoxy]dodecane?
The canonical SMILES for 1-[(Z)-2-chloro-2-fluoroethenoxy]dodecane is CCCCCCCCCCCCO/C=C(/F)Cl.
What is the InChIKey of 1-[(Z)-2-chloro-2-fluoroethenoxy]dodecane?
The InChIKey is LJXTXIQWGXCJBB-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H26ClFO/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14(15)16/h13H,2-12H2,1H3/b14-13+.
What are the key properties of 1-[(Z)-2-chloro-2-fluoroethenoxy]dodecane?
1-[(Z)-2-chloro-2-fluoroethenoxy]dodecane has a molecular weight of 264.81 g/mol, XLogP of 5.93, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-chloro-2-fluoroethenoxy]dodecane is sourced from PubChem (CID 122378024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).