1-O-(2-fluoroprop-2-enyl) 2-O-naphthalen-2-yl oxalate

C15H11FO4 — CID 138664639

IUPAC1-O-(2-fluoroprop-2-enyl) 2-O-naphthalen-2-yl oxalate
SMILESC=C(F)COC(=O)C(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C15H11FO4/c1-10(16)9-19-14(17)15(18)20-13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,1,9H2
InChIKeyBWOYXNBUGKHPSA-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.77
Rot. Bonds3

About 1-O-(2-fluoroprop-2-enyl) 2-O-naphthalen-2-yl oxalate

1-O-(2-fluoroprop-2-enyl) 2-O-naphthalen-2-yl oxalate (PubChem CID 138664639) has the molecular formula C15H11FO4 and a molecular weight of 274.25 g/mol. Its IUPAC name is 1-O-(2-fluoroprop-2-enyl) 2-O-naphthalen-2-yl oxalate.

Molecular Properties

Compound Name1-O-(2-fluoroprop-2-enyl) 2-O-naphthalen-2-yl oxalate
PubChem CID138664639
Molecular FormulaC15H11FO4
Molecular Weight274.25 g/mol
Exact Mass274.06
IUPAC Name1-O-(2-fluoroprop-2-enyl) 2-O-naphthalen-2-yl oxalate
SMILESC=C(F)COC(=O)C(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C15H11FO4/c1-10(16)9-19-14(17)15(18)20-13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,1,9H2
InChIKeyBWOYXNBUGKHPSA-UHFFFAOYSA-N
XLogP2.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 139998509
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dinaphthalen-2-yl (2S)-2-hydroxybutanedioate
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[4-(aminomethyl)phenyl] naphthalen-2-yl carbonate
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naphthalen-2-yl 3-sulfanylpropanoate
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8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate
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naphthalen-2-yl 2-[phenyl(triethylsilyloxy)methyl]prop-2-enoate
CID 71484556
[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 58069127
naphthalen-2-yl 2-(4-ethoxyphenoxy)acetate
CID 19177831
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CID 71396312

Frequently Asked Questions

What is the IUPAC name of 1-O-(2-fluoroprop-2-enyl) 2-O-naphthalen-2-yl oxalate?
The IUPAC name of 1-O-(2-fluoroprop-2-enyl) 2-O-naphthalen-2-yl oxalate (CID 138664639) is 1-O-(2-fluoroprop-2-enyl) 2-O-naphthalen-2-yl oxalate.
What is the SMILES notation for 1-O-(2-fluoroprop-2-enyl) 2-O-naphthalen-2-yl oxalate?
The canonical SMILES for 1-O-(2-fluoroprop-2-enyl) 2-O-naphthalen-2-yl oxalate is C=C(F)COC(=O)C(=O)Oc1ccc2ccccc2c1.
What is the InChIKey of 1-O-(2-fluoroprop-2-enyl) 2-O-naphthalen-2-yl oxalate?
The InChIKey is BWOYXNBUGKHPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO4/c1-10(16)9-19-14(17)15(18)20-13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,1,9H2.
What are the key properties of 1-O-(2-fluoroprop-2-enyl) 2-O-naphthalen-2-yl oxalate?
1-O-(2-fluoroprop-2-enyl) 2-O-naphthalen-2-yl oxalate has a molecular weight of 274.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(2-fluoroprop-2-enyl) 2-O-naphthalen-2-yl oxalate is sourced from PubChem (CID 138664639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).