(1S,2S,3S,6R,7S)-2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one

C8H9FO2 — CID 98093547

IUPAC(1S,2S,3S,6R,7S)-2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one
SMILESO=C1O[C@@H]2[C@@H](F)[C@H]3C[C@H]2[C@H]1C3
InChIInChI=1S/C8H9FO2/c9-6-3-1-4-5(2-3)8(10)11-7(4)6/h3-7H,1-2H2/t3-,4-,5+,6-,7-/m0/s1
InChIKeyYPIPJUNZEHYLTO-ZYNSJIGGSA-N
MW156.16 g/mol
LogP0.91
Rot. Bonds

About (1S,2S,3S,6R,7S)-2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one

(1S,2S,3S,6R,7S)-2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one (PubChem CID 98093547) has the molecular formula C8H9FO2 and a molecular weight of 156.16 g/mol. Its IUPAC name is (1S,2S,3S,6R,7S)-2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one.

Molecular Properties

Compound Name(1S,2S,3S,6R,7S)-2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one
PubChem CID98093547
Molecular FormulaC8H9FO2
Molecular Weight156.16 g/mol
Exact Mass156.06
IUPAC Name(1S,2S,3S,6R,7S)-2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one
SMILESO=C1O[C@@H]2[C@@H](F)[C@H]3C[C@H]2[C@H]1C3
InChIInChI=1S/C8H9FO2/c9-6-3-1-4-5(2-3)8(10)11-7(4)6/h3-7H,1-2H2/t3-,4-,5+,6-,7-/m0/s1
InChIKeyYPIPJUNZEHYLTO-ZYNSJIGGSA-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 (1S,2S,3S,6R,7S)-2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one with MolForge

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Launch Full Analysis

Related Compounds

2-propan-2-yl-4-oxatricyclo[4.2.1.03,7]nonan-5-one
CID 59623064
2-(silylmethoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one
CID 123804126
2-methoxy-4-oxatricyclo[4.3.0.03,8]nonan-5-one
CID 89483849
N-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]methanamine oxide
CID 163430349
2-(2-methylprop-2-enoyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one
CID 101452414
[(1S,6R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2-methylprop-2-enoate
CID 67990971
2-(2-oxopropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one
CID 167571291
2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl]prop-2-enoic acid
CID 23116600
(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(aziridin-1-yl)acetate
CID 170264720
[(1S)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2-methylidenebutanoate
CID 122605939
1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethanesulfonoperoxoic acid
CID 147640094
(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 3,3,3-trifluoro-2-methylpropanoate
CID 58225812

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,6R,7S)-2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The IUPAC name of (1S,2S,3S,6R,7S)-2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one (CID 98093547) is (1S,2S,3S,6R,7S)-2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one.
What is the SMILES notation for (1S,2S,3S,6R,7S)-2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The canonical SMILES for (1S,2S,3S,6R,7S)-2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one is O=C1O[C@@H]2[C@@H](F)[C@H]3C[C@H]2[C@H]1C3.
What is the InChIKey of (1S,2S,3S,6R,7S)-2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The InChIKey is YPIPJUNZEHYLTO-ZYNSJIGGSA-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/t3-,4-,5+,6-,7-/m0/s1.
What are the key properties of (1S,2S,3S,6R,7S)-2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
(1S,2S,3S,6R,7S)-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 (1S,2S,3S,6R,7S)-2-fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one is sourced from PubChem (CID 98093547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).