fluoro anthracene-1-carboxylate

C15H9FO2 — CID 177083342

IUPACfluoro anthracene-1-carboxylate
SMILESO=C(OF)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C15H9FO2/c16-18-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13/h1-9H
InChIKeyPAUDBFLBPQHRSR-UHFFFAOYSA-N
MW240.23 g/mol
LogP4.03
Rot. Bonds1

About fluoro anthracene-1-carboxylate

fluoro anthracene-1-carboxylate (PubChem CID 177083342) has the molecular formula C15H9FO2 and a molecular weight of 240.23 g/mol. Its IUPAC name is fluoro anthracene-1-carboxylate.

Molecular Properties

Compound Namefluoro anthracene-1-carboxylate
PubChem CID177083342
Molecular FormulaC15H9FO2
Molecular Weight240.23 g/mol
Exact Mass240.06
IUPAC Namefluoro anthracene-1-carboxylate
SMILESO=C(OF)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C15H9FO2/c16-18-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13/h1-9H
InChIKeyPAUDBFLBPQHRSR-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl cyclohepta[f]indene-5-carboxylate
CID 154457537
disodium bis(anthracene-1-carboxylate)
CID 155667370
1-anthracen-1-yl-4,4,4-trifluorobutane-1,3-dione
CID 87129349
2-[2-[[2-[2-[2-(anthracene-1-carbonyloxy)ethoxy]ethylamino]-2-oxoacetyl]amino]ethoxy]ethyl anthracene-1-carboxylate
CID 150652492
2-bicyclo[2.2.1]hept-2-enyl anthracene-1-carboxylate
CID 87733595
anthracen-1-yl 2-formylbenzoate
CID 141425213
1-anthracen-1-ylethenyl 2,2-dimethylpropanoate
CID 163731973
fluoro 2-sulfanylbenzoate
CID 143951805
1-(anthracene-1-carbonyl)pyrrolidine-2,5-dione
CID 25269367
diphenyl naphthalene-1,6-dicarboxylate
CID 66591582
4-amino-3-anthracen-1-yl-4-oxobut-2-enoic acid
CID 173302358
acridine-1-carbonyl acridine-1-carboxylate
CID 54394686

Frequently Asked Questions

What is the IUPAC name of fluoro anthracene-1-carboxylate?
The IUPAC name of fluoro anthracene-1-carboxylate (CID 177083342) is fluoro anthracene-1-carboxylate.
What is the SMILES notation for fluoro anthracene-1-carboxylate?
The canonical SMILES for fluoro anthracene-1-carboxylate is O=C(OF)c1cccc2cc3ccccc3cc12.
What is the InChIKey of fluoro anthracene-1-carboxylate?
The InChIKey is PAUDBFLBPQHRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FO2/c16-18-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13/h1-9H.
What are the key properties of fluoro anthracene-1-carboxylate?
fluoro anthracene-1-carboxylate has a molecular weight of 240.23 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro anthracene-1-carboxylate is sourced from PubChem (CID 177083342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).