1-(fluoromethyl)xanthen-3-one

C14H9FO2 — CID 175090220

IUPAC1-(fluoromethyl)xanthen-3-one
SMILESO=c1cc2oc3ccccc3cc-2c(CF)c1
InChIInChI=1S/C14H9FO2/c15-8-10-5-11(16)7-14-12(10)6-9-3-1-2-4-13(9)17-14/h1-7H,8H2
InChIKeyKGMZEXUJUZYALL-UHFFFAOYSA-N
MW228.22 g/mol
LogP3.37
Rot. Bonds1

About 1-(fluoromethyl)xanthen-3-one

1-(fluoromethyl)xanthen-3-one (PubChem CID 175090220) has the molecular formula C14H9FO2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 1-(fluoromethyl)xanthen-3-one.

Molecular Properties

Compound Name1-(fluoromethyl)xanthen-3-one
PubChem CID175090220
Molecular FormulaC14H9FO2
Molecular Weight228.22 g/mol
Exact Mass228.06
IUPAC Name1-(fluoromethyl)xanthen-3-one
SMILESO=c1cc2oc3ccccc3cc-2c(CF)c1
InChIInChI=1S/C14H9FO2/c15-8-10-5-11(16)7-14-12(10)6-9-3-1-2-4-13(9)17-14/h1-7H,8H2
InChIKeyKGMZEXUJUZYALL-UHFFFAOYSA-N
XLogP3.37
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 53.37
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

1-(2-phenylethynyl)xanthen-3-one
CID 175005105
2-[2-(iodomethyl)phenyl]-1-benzofuran
CID 146186545
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
[2-(1-benzofuran-2-yl)-4-chlorophenyl]methanamine
CID 114732195
3-(2-hydroxyphenyl)chromen-2-one
CID 819892
2-(2-bromophenyl)-1-benzofuran
CID 14669096
2-[[2-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]pyrimidine
CID 54374256
5-(1-benzofuran-2-yl)benzo[a]anthracene-7,12-dione
CID 12614696
4-(1-benzofuran-2-yl)-5-bromobenzene-1,2-diol
CID 118731476
3-phenylchromen-2-one;hydrochloride
CID 141206894
3-(hydroxymethyl)chromen-2-one
CID 22921481
2-(2-methylperoxyphenyl)-1-benzofuran
CID 134976959

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)xanthen-3-one?
The IUPAC name of 1-(fluoromethyl)xanthen-3-one (CID 175090220) is 1-(fluoromethyl)xanthen-3-one.
What is the SMILES notation for 1-(fluoromethyl)xanthen-3-one?
The canonical SMILES for 1-(fluoromethyl)xanthen-3-one is O=c1cc2oc3ccccc3cc-2c(CF)c1.
What is the InChIKey of 1-(fluoromethyl)xanthen-3-one?
The InChIKey is KGMZEXUJUZYALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO2/c15-8-10-5-11(16)7-14-12(10)6-9-3-1-2-4-13(9)17-14/h1-7H,8H2.
What are the key properties of 1-(fluoromethyl)xanthen-3-one?
1-(fluoromethyl)xanthen-3-one has a molecular weight of 228.22 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)xanthen-3-one is sourced from PubChem (CID 175090220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).