2-[2-(5-fluoronaphthalen-1-yl)oxyethoxymethyl]oxirane

C15H15FO3 — CID 155190944

IUPAC2-[2-(5-fluoronaphthalen-1-yl)oxyethoxymethyl]oxirane
SMILESFc1cccc2c(OCCOCC3CO3)cccc12
InChIInChI=1S/C15H15FO3/c16-14-5-1-4-13-12(14)3-2-6-15(13)18-8-7-17-9-11-10-19-11/h1-6,11H,7-10H2
InChIKeyCXZVHIMEAWCIHB-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.77
Rot. Bonds6

About 2-[2-(5-fluoronaphthalen-1-yl)oxyethoxymethyl]oxirane

2-[2-(5-fluoronaphthalen-1-yl)oxyethoxymethyl]oxirane (PubChem CID 155190944) has the molecular formula C15H15FO3 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-[2-(5-fluoronaphthalen-1-yl)oxyethoxymethyl]oxirane.

Molecular Properties

Compound Name2-[2-(5-fluoronaphthalen-1-yl)oxyethoxymethyl]oxirane
PubChem CID155190944
Molecular FormulaC15H15FO3
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Name2-[2-(5-fluoronaphthalen-1-yl)oxyethoxymethyl]oxirane
SMILESFc1cccc2c(OCCOCC3CO3)cccc12
InChIInChI=1S/C15H15FO3/c16-14-5-1-4-13-12(14)3-2-6-15(13)18-8-7-17-9-11-10-19-11/h1-6,11H,7-10H2
InChIKeyCXZVHIMEAWCIHB-UHFFFAOYSA-N
XLogP2.77
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methylphenoxy)ethoxymethyl]oxirane
CID 13013247
2-[2-[4-(9H-fluoren-1-yl)naphthalen-1-yl]oxyethoxymethyl]oxirane
CID 172716035
2-[2-[4-[1-[4-[2-(oxiran-2-ylmethoxy)ethoxy]naphthalen-1-yl]-2,3-dihydroinden-1-yl]naphthalen-1-yl]oxyethoxymethyl]oxirane
CID 142441288
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
5-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 13305201
2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane
CID 59687579
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;1,3-xylene
CID 126511463
2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane
CID 87441812
2-[12-(2-phenylphenoxy)dodecoxymethyl]oxirane
CID 175143054
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
2-methyl-3-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropan-1-ol
CID 163607485

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-fluoronaphthalen-1-yl)oxyethoxymethyl]oxirane?
The IUPAC name of 2-[2-(5-fluoronaphthalen-1-yl)oxyethoxymethyl]oxirane (CID 155190944) is 2-[2-(5-fluoronaphthalen-1-yl)oxyethoxymethyl]oxirane.
What is the SMILES notation for 2-[2-(5-fluoronaphthalen-1-yl)oxyethoxymethyl]oxirane?
The canonical SMILES for 2-[2-(5-fluoronaphthalen-1-yl)oxyethoxymethyl]oxirane is Fc1cccc2c(OCCOCC3CO3)cccc12.
What is the InChIKey of 2-[2-(5-fluoronaphthalen-1-yl)oxyethoxymethyl]oxirane?
The InChIKey is CXZVHIMEAWCIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO3/c16-14-5-1-4-13-12(14)3-2-6-15(13)18-8-7-17-9-11-10-19-11/h1-6,11H,7-10H2.
What are the key properties of 2-[2-(5-fluoronaphthalen-1-yl)oxyethoxymethyl]oxirane?
2-[2-(5-fluoronaphthalen-1-yl)oxyethoxymethyl]oxirane has a molecular weight of 262.28 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-fluoronaphthalen-1-yl)oxyethoxymethyl]oxirane is sourced from PubChem (CID 155190944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).