4-fluoro-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene

C10H9FO3 — CID 102418336

IUPAC4-fluoro-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene
SMILESFc1ccc2c(c1)C1OCC(CO2)O1
InChIInChI=1S/C10H9FO3/c11-6-1-2-9-8(3-6)10-13-5-7(14-10)4-12-9/h1-3,7,10H,4-5H2
InChIKeyZOBJYEFVHXESRP-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.63
Rot. Bonds

About 4-fluoro-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene

4-fluoro-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene (PubChem CID 102418336) has the molecular formula C10H9FO3 and a molecular weight of 196.18 g/mol. Its IUPAC name is 4-fluoro-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene.

Molecular Properties

Compound Name4-fluoro-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene
PubChem CID102418336
Molecular FormulaC10H9FO3
Molecular Weight196.18 g/mol
Exact Mass196.05
IUPAC Name4-fluoro-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene
SMILESFc1ccc2c(c1)C1OCC(CO2)O1
InChIInChI=1S/C10H9FO3/c11-6-1-2-9-8(3-6)10-13-5-7(14-10)4-12-9/h1-3,7,10H,4-5H2
InChIKeyZOBJYEFVHXESRP-UHFFFAOYSA-N
XLogP1.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 55263545
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol
CID 22012245
1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 83906491
O-[(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117201919
(3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran
CID 58740911
4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol
CID 82188588
[(3S,4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanol
CID 130937445
4-[benzyl(ethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-3-ol
CID 82188579
2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]benzamide
CID 140712163
6-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 79982701
6-fluoro-2,3-dihydro-1-benzofuran-3-ol
CID 79982529
3-[bis(2-hydroxyethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 82186946

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene?
The IUPAC name of 4-fluoro-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene (CID 102418336) is 4-fluoro-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene.
What is the SMILES notation for 4-fluoro-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene?
The canonical SMILES for 4-fluoro-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene is Fc1ccc2c(c1)C1OCC(CO2)O1.
What is the InChIKey of 4-fluoro-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene?
The InChIKey is ZOBJYEFVHXESRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3/c11-6-1-2-9-8(3-6)10-13-5-7(14-10)4-12-9/h1-3,7,10H,4-5H2.
What are the key properties of 4-fluoro-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene?
4-fluoro-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene has a molecular weight of 196.18 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene is sourced from PubChem (CID 102418336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).