3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one

C13H13FO — CID 102434641

IUPAC3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one
SMILESO=C1CCC12c1ccccc1CCC2F
InChIInChI=1S/C13H13FO/c14-11-6-5-9-3-1-2-4-10(9)13(11)8-7-12(13)15/h1-4,11H,5-8H2
InChIKeyXNYONTYDKAGZTO-UHFFFAOYSA-N
MW204.24 g/mol
LogP2.57
Rot. Bonds

About 3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one

3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one (PubChem CID 102434641) has the molecular formula C13H13FO and a molecular weight of 204.24 g/mol. Its IUPAC name is 3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one.

Molecular Properties

Compound Name3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one
PubChem CID102434641
Molecular FormulaC13H13FO
Molecular Weight204.24 g/mol
Exact Mass204.10
IUPAC Name3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one
SMILESO=C1CCC12c1ccccc1CCC2F
InChIInChI=1S/C13H13FO/c14-11-6-5-9-3-1-2-4-10(9)13(11)8-7-12(13)15/h1-4,11H,5-8H2
InChIKeyXNYONTYDKAGZTO-UHFFFAOYSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,4R)-8-cyclopropyl-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one
CID 134965687
(3S,4S)-3-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopentane]-1'-one
CID 102230867
(3aS,9bR)-9b-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-one
CID 102092616
[(1'S,3R)-3'-oxospiro[1,2-dihydroindene-3,2'-cyclopentane]-1'-yl] (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
CID 11143437
spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione
CID 13053011
spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one
CID 22357444
1'-(4-chlorophenyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 141235687
(3S,4S)-3-bromo-1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one
CID 132551590
1,1-dioxospiro[1,2,5-thiadiazolidine-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-one
CID 10519329
4-(1-cyclopentyl-3,4-dihydro-2H-naphthalen-1-yl)pyridine
CID 158486462
(1R)-5'-hydroxyspiro[3,4-dihydronaphthalene-1,2'-oxolane]-2-one
CID 102323319
(3S,4S)-3-iodo-8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one
CID 102114565

Frequently Asked Questions

What is the IUPAC name of 3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one?
The IUPAC name of 3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one (CID 102434641) is 3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one.
What is the SMILES notation for 3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one?
The canonical SMILES for 3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one is O=C1CCC12c1ccccc1CCC2F.
What is the InChIKey of 3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one?
The InChIKey is XNYONTYDKAGZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO/c14-11-6-5-9-3-1-2-4-10(9)13(11)8-7-12(13)15/h1-4,11H,5-8H2.
What are the key properties of 3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one?
3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one has a molecular weight of 204.24 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one is sourced from PubChem (CID 102434641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).