2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one

C8H9FO2 — CID 45090620

IUPAC2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one
SMILESO=C1OC2C(F)C3CC1C2C3
InChIInChI=1S/C8H9FO2/c9-6-3-1-4-5(2-3)8(10)11-7(4)6/h3-7H,1-2H2
InChIKeyYPIPJUNZEHYLTO-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.91
Rot. Bonds

About 2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one

2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one (PubChem CID 45090620) has the molecular formula C8H9FO2 and a molecular weight of 156.16 g/mol. Its IUPAC name is 2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one.

Molecular Properties

Compound Name2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one
PubChem CID45090620
Molecular FormulaC8H9FO2
Molecular Weight156.16 g/mol
Exact Mass156.06
IUPAC Name2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one
SMILESO=C1OC2C(F)C3CC1C2C3
InChIInChI=1S/C8H9FO2/c9-6-3-1-4-5(2-3)8(10)11-7(4)6/h3-7H,1-2H2
InChIKeyYPIPJUNZEHYLTO-UHFFFAOYSA-N
XLogP0.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Oxa-tricyclo(4.2.1.0(3,7))nonan-5-one
CID 262549
Methyl 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 154713728
chloro-[(1S,2S,3S,6S,7R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]mercury
CID 23270318
Hexahydro-4,7-methano-1-benzofuran-2(3H)-one
CID 13403344
(3S,4S,7S)-3-iodo-5-oxatetracyclo[5.4.0.02,9.04,8]undecan-6-one
CID 384343
8-Fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one
CID 45090622
(5-Oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate
CID 57760092
(5-Oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 57760302
(5-Oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-(trioxidanylsulfanyl)acetate
CID 57760303
(5-Oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate
CID 57760541
2-Methyl-9-(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one
CID 57810617
(5-Oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoroacetate
CID 58225722

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The IUPAC name of 2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one (CID 45090620) is 2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one.
What is the SMILES notation for 2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The canonical SMILES for 2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one is O=C1OC2C(F)C3CC1C2C3.
What is the InChIKey of 2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The InChIKey is YPIPJUNZEHYLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2/c9-6-3-1-4-5(2-3)8(10)11-7(4)6/h3-7H,1-2H2.
What are the key properties of 2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one has a molecular weight of 156.16 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one is sourced from PubChem (CID 45090620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).