(1aR,7aS)-5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylic acid

C11H7FO4 — CID 97034451

IUPAC(1aR,7aS)-5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylic acid
SMILESO=C1c2cc(F)ccc2O[C@]2(C(=O)O)C[C@H]12
InChIInChI=1S/C11H7FO4/c12-5-1-2-8-6(3-5)9(13)7-4-11(7,16-8)10(14)15/h1-3,7H,4H2,(H,14,15)/t7-,11-/m1/s1
InChIKeyCMFJHHMSEXGISQ-RDDDGLTNSA-N
MW222.17 g/mol
LogP1.24
Rot. Bonds1

About (1aR,7aS)-5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylic acid

(1aR,7aS)-5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylic acid (PubChem CID 97034451) has the molecular formula C11H7FO4 and a molecular weight of 222.17 g/mol. Its IUPAC name is (1aR,7aS)-5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylic acid.

Molecular Properties

Compound Name(1aR,7aS)-5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylic acid
PubChem CID97034451
Molecular FormulaC11H7FO4
Molecular Weight222.17 g/mol
Exact Mass222.03
IUPAC Name(1aR,7aS)-5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylic acid
SMILESO=C1c2cc(F)ccc2O[C@]2(C(=O)O)C[C@H]12
InChIInChI=1S/C11H7FO4/c12-5-1-2-8-6(3-5)9(13)7-4-11(7,16-8)10(14)15/h1-3,7H,4H2,(H,14,15)/t7-,11-/m1/s1
InChIKeyCMFJHHMSEXGISQ-RDDDGLTNSA-N
XLogP1.24
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1aR,7aS)-5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylic acid?
The IUPAC name of (1aR,7aS)-5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylic acid (CID 97034451) is (1aR,7aS)-5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylic acid.
What is the SMILES notation for (1aR,7aS)-5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylic acid?
The canonical SMILES for (1aR,7aS)-5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylic acid is O=C1c2cc(F)ccc2O[C@]2(C(=O)O)C[C@H]12.
What is the InChIKey of (1aR,7aS)-5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylic acid?
The InChIKey is CMFJHHMSEXGISQ-RDDDGLTNSA-N. The full InChI is InChI=1S/C11H7FO4/c12-5-1-2-8-6(3-5)9(13)7-4-11(7,16-8)10(14)15/h1-3,7H,4H2,(H,14,15)/t7-,11-/m1/s1.
What are the key properties of (1aR,7aS)-5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylic acid?
(1aR,7aS)-5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylic acid has a molecular weight of 222.17 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,7aS)-5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylic acid is sourced from PubChem (CID 97034451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).