2-[2-(2-fluoroethoxy)ethoxy]-5-methyl-5-propan-2-ylcyclohexa-1,3-diene

C14H23FO2 — CID 155197618

IUPAC2-[2-(2-fluoroethoxy)ethoxy]-5-methyl-5-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1(C)C=CC(OCCOCCF)=CC1
InChIInChI=1S/C14H23FO2/c1-12(2)14(3)6-4-13(5-7-14)17-11-10-16-9-8-15/h4-6,12H,7-11H2,1-3H3
InChIKeyLHCXJWPDWAHKEA-UHFFFAOYSA-N
MW242.33 g/mol
LogP3.50
Rot. Bonds7

About 2-[2-(2-fluoroethoxy)ethoxy]-5-methyl-5-propan-2-ylcyclohexa-1,3-diene

2-[2-(2-fluoroethoxy)ethoxy]-5-methyl-5-propan-2-ylcyclohexa-1,3-diene (PubChem CID 155197618) has the molecular formula C14H23FO2 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-[2-(2-fluoroethoxy)ethoxy]-5-methyl-5-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[2-(2-fluoroethoxy)ethoxy]-5-methyl-5-propan-2-ylcyclohexa-1,3-diene
PubChem CID155197618
Molecular FormulaC14H23FO2
Molecular Weight242.33 g/mol
Exact Mass242.17
IUPAC Name2-[2-(2-fluoroethoxy)ethoxy]-5-methyl-5-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1(C)C=CC(OCCOCCF)=CC1
InChIInChI=1S/C14H23FO2/c1-12(2)14(3)6-4-13(5-7-14)17-11-10-16-9-8-15/h4-6,12H,7-11H2,1-3H3
InChIKeyLHCXJWPDWAHKEA-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroethoxy)ethoxy]-5-methyl-5-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 2-[2-(2-fluoroethoxy)ethoxy]-5-methyl-5-propan-2-ylcyclohexa-1,3-diene (CID 155197618) is 2-[2-(2-fluoroethoxy)ethoxy]-5-methyl-5-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 2-[2-(2-fluoroethoxy)ethoxy]-5-methyl-5-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 2-[2-(2-fluoroethoxy)ethoxy]-5-methyl-5-propan-2-ylcyclohexa-1,3-diene is CC(C)C1(C)C=CC(OCCOCCF)=CC1.
What is the InChIKey of 2-[2-(2-fluoroethoxy)ethoxy]-5-methyl-5-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is LHCXJWPDWAHKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FO2/c1-12(2)14(3)6-4-13(5-7-14)17-11-10-16-9-8-15/h4-6,12H,7-11H2,1-3H3.
What are the key properties of 2-[2-(2-fluoroethoxy)ethoxy]-5-methyl-5-propan-2-ylcyclohexa-1,3-diene?
2-[2-(2-fluoroethoxy)ethoxy]-5-methyl-5-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 242.33 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroethoxy)ethoxy]-5-methyl-5-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 155197618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).