(Z)-1-[2-(2-fluoroethoxy)ethoxy]octadec-9-ene

C22H43FO2 — CID 24749144

IUPAC(Z)-1-[2-(2-fluoroethoxy)ethoxy]octadec-9-ene
SMILESCCCCCCCC/C=C\CCCCCCCCOCCOCCF
InChIInChI=1S/C22H43FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-25-20-18-23/h9-10H,2-8,11-22H2,1H3/b10-9-
InChIKeyVRZNLLMNLHJAEG-KTKRTIGZSA-N
MW358.58 g/mol
LogP7.03
Rot. Bonds21

About (Z)-1-[2-(2-fluoroethoxy)ethoxy]octadec-9-ene

(Z)-1-[2-(2-fluoroethoxy)ethoxy]octadec-9-ene (PubChem CID 24749144) has the molecular formula C22H43FO2 and a molecular weight of 358.58 g/mol. Its IUPAC name is (Z)-1-[2-(2-fluoroethoxy)ethoxy]octadec-9-ene.

Molecular Properties

Compound Name(Z)-1-[2-(2-fluoroethoxy)ethoxy]octadec-9-ene
PubChem CID24749144
Molecular FormulaC22H43FO2
Molecular Weight358.58 g/mol
Exact Mass358.32
IUPAC Name(Z)-1-[2-(2-fluoroethoxy)ethoxy]octadec-9-ene
SMILESCCCCCCCC/C=C\CCCCCCCCOCCOCCF
InChIInChI=1S/C22H43FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-25-20-18-23/h9-10H,2-8,11-22H2,1H3/b10-9-
InChIKeyVRZNLLMNLHJAEG-KTKRTIGZSA-N
XLogP7.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.58
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(2-propoxyethoxy)octadec-9-ene
CID 121476688
(Z)-1-butoxyheptadec-8-ene
CID 87205101
2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethanol
CID 85060270
2-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 170920421
2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 139597376
1-undec-4-enoxyundec-4-ene
CID 91358832
(Z)-1-ethoxynonadec-9-ene
CID 87517612
(Z)-1-ethoxypentadec-7-ene
CID 87516958
1-icosa-5,8,11,14-tetraenoxyicosa-5,8,11,14-tetraene
CID 54078001
(Z)-13-propoxytridec-5-ene
CID 87204974
15-ethoxypentadec-7-ene
CID 91170991
4-[(9Z,12Z)-octadeca-9,12-dienoxy]butan-1-ol
CID 138620632

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[2-(2-fluoroethoxy)ethoxy]octadec-9-ene?
The IUPAC name of (Z)-1-[2-(2-fluoroethoxy)ethoxy]octadec-9-ene (CID 24749144) is (Z)-1-[2-(2-fluoroethoxy)ethoxy]octadec-9-ene.
What is the SMILES notation for (Z)-1-[2-(2-fluoroethoxy)ethoxy]octadec-9-ene?
The canonical SMILES for (Z)-1-[2-(2-fluoroethoxy)ethoxy]octadec-9-ene is CCCCCCCC/C=C\CCCCCCCCOCCOCCF.
What is the InChIKey of (Z)-1-[2-(2-fluoroethoxy)ethoxy]octadec-9-ene?
The InChIKey is VRZNLLMNLHJAEG-KTKRTIGZSA-N. The full InChI is InChI=1S/C22H43FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-25-20-18-23/h9-10H,2-8,11-22H2,1H3/b10-9-.
What are the key properties of (Z)-1-[2-(2-fluoroethoxy)ethoxy]octadec-9-ene?
(Z)-1-[2-(2-fluoroethoxy)ethoxy]octadec-9-ene has a molecular weight of 358.58 g/mol, XLogP of 7.03, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-(2-fluoroethoxy)ethoxy]octadec-9-ene is sourced from PubChem (CID 24749144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).