(3S,4R)-3-fluorospiro[2,3-dihydrochromene-4,2'-cyclopentane]-1'-one

C13H13FO2 — CID 122220880

IUPAC(3S,4R)-3-fluorospiro[2,3-dihydrochromene-4,2'-cyclopentane]-1'-one
SMILESO=C1CCC[C@@]12c1ccccc1OC[C@H]2F
InChIInChI=1S/C13H13FO2/c14-11-8-16-10-5-2-1-4-9(10)13(11)7-3-6-12(13)15/h1-2,4-5,11H,3,6-8H2/t11-,13+/m1/s1
InChIKeyRSKSDRHNKXLLLG-YPMHNXCESA-N
MW220.24 g/mol
LogP2.41
Rot. Bonds

About (3S,4R)-3-fluorospiro[2,3-dihydrochromene-4,2'-cyclopentane]-1'-one

(3S,4R)-3-fluorospiro[2,3-dihydrochromene-4,2'-cyclopentane]-1'-one (PubChem CID 122220880) has the molecular formula C13H13FO2 and a molecular weight of 220.24 g/mol. Its IUPAC name is (3S,4R)-3-fluorospiro[2,3-dihydrochromene-4,2'-cyclopentane]-1'-one.

Molecular Properties

Compound Name(3S,4R)-3-fluorospiro[2,3-dihydrochromene-4,2'-cyclopentane]-1'-one
PubChem CID122220880
Molecular FormulaC13H13FO2
Molecular Weight220.24 g/mol
Exact Mass220.09
IUPAC Name(3S,4R)-3-fluorospiro[2,3-dihydrochromene-4,2'-cyclopentane]-1'-one
SMILESO=C1CCC[C@@]12c1ccccc1OC[C@H]2F
InChIInChI=1S/C13H13FO2/c14-11-8-16-10-5-2-1-4-9(10)13(11)7-3-6-12(13)15/h1-2,4-5,11H,3,6-8H2/t11-,13+/m1/s1
InChIKeyRSKSDRHNKXLLLG-YPMHNXCESA-N
XLogP2.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluorospiro[2,3-dihydrochromene-4,2'-cyclopentane]-1'-one?
The IUPAC name of (3S,4R)-3-fluorospiro[2,3-dihydrochromene-4,2'-cyclopentane]-1'-one (CID 122220880) is (3S,4R)-3-fluorospiro[2,3-dihydrochromene-4,2'-cyclopentane]-1'-one.
What is the SMILES notation for (3S,4R)-3-fluorospiro[2,3-dihydrochromene-4,2'-cyclopentane]-1'-one?
The canonical SMILES for (3S,4R)-3-fluorospiro[2,3-dihydrochromene-4,2'-cyclopentane]-1'-one is O=C1CCC[C@@]12c1ccccc1OC[C@H]2F.
What is the InChIKey of (3S,4R)-3-fluorospiro[2,3-dihydrochromene-4,2'-cyclopentane]-1'-one?
The InChIKey is RSKSDRHNKXLLLG-YPMHNXCESA-N. The full InChI is InChI=1S/C13H13FO2/c14-11-8-16-10-5-2-1-4-9(10)13(11)7-3-6-12(13)15/h1-2,4-5,11H,3,6-8H2/t11-,13+/m1/s1.
What are the key properties of (3S,4R)-3-fluorospiro[2,3-dihydrochromene-4,2'-cyclopentane]-1'-one?
(3S,4R)-3-fluorospiro[2,3-dihydrochromene-4,2'-cyclopentane]-1'-one has a molecular weight of 220.24 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluorospiro[2,3-dihydrochromene-4,2'-cyclopentane]-1'-one is sourced from PubChem (CID 122220880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).