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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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).