(3R,4R)-8-cyclopropyl-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one

C16H17FO — CID 134965687

IUPAC(3R,4R)-8-cyclopropyl-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one
SMILESO=C1CC[C@@]12c1cccc(C3CC3)c1CC[C@H]2F
InChIInChI=1S/C16H17FO/c17-14-7-6-12-11(10-4-5-10)2-1-3-13(12)16(14)9-8-15(16)18/h1-3,10,14H,4-9H2/t14-,16+/m1/s1
InChIKeyOXWIHPXGJCXMDA-ZBFHGGJFSA-N
MW244.31 g/mol
LogP3.45
Rot. Bonds1

About (3R,4R)-8-cyclopropyl-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one

(3R,4R)-8-cyclopropyl-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one (PubChem CID 134965687) has the molecular formula C16H17FO and a molecular weight of 244.31 g/mol. Its IUPAC name is (3R,4R)-8-cyclopropyl-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one.

Molecular Properties

Compound Name(3R,4R)-8-cyclopropyl-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one
PubChem CID134965687
Molecular FormulaC16H17FO
Molecular Weight244.31 g/mol
Exact Mass244.13
IUPAC Name(3R,4R)-8-cyclopropyl-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one
SMILESO=C1CC[C@@]12c1cccc(C3CC3)c1CC[C@H]2F
InChIInChI=1S/C16H17FO/c17-14-7-6-12-11(10-4-5-10)2-1-3-13(12)16(14)9-8-15(16)18/h1-3,10,14H,4-9H2/t14-,16+/m1/s1
InChIKeyOXWIHPXGJCXMDA-ZBFHGGJFSA-N
XLogP3.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3R,4R)-8-cyclopropyl-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one with MolForge

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Related Compounds

3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one
CID 102434641
5-cyclohexylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67143177
(3S,4S)-3-bromo-1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one
CID 132551590
5-methylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67993663
(3aR,9bS)-6-cyclopropyl-3a-methyl-1,2,3,4,5,9b-hexahydrocyclopenta[a]naphthalene
CID 160711596
4-cyclopropylisoindole-1,3-dione
CID 54298107
(1S,9R,10R)-6-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-14-one;hydrate
CID 141061955
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301
5-amino-6-(2-cyclopropylphenyl)-1-methylpiperidin-2-one
CID 79977730
2,6-dicyclopropylbenzoate
CID 140784122
2,6-dicyclopropylaniline
CID 129249080
4-(2-cyclobutylphenyl)-4-fluoropiperidine
CID 114607386

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-8-cyclopropyl-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one?
The IUPAC name of (3R,4R)-8-cyclopropyl-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one (CID 134965687) is (3R,4R)-8-cyclopropyl-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one.
What is the SMILES notation for (3R,4R)-8-cyclopropyl-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one?
The canonical SMILES for (3R,4R)-8-cyclopropyl-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one is O=C1CC[C@@]12c1cccc(C3CC3)c1CC[C@H]2F.
What is the InChIKey of (3R,4R)-8-cyclopropyl-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one?
The InChIKey is OXWIHPXGJCXMDA-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H17FO/c17-14-7-6-12-11(10-4-5-10)2-1-3-13(12)16(14)9-8-15(16)18/h1-3,10,14H,4-9H2/t14-,16+/m1/s1.
What are the key properties of (3R,4R)-8-cyclopropyl-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one?
(3R,4R)-8-cyclopropyl-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one has a molecular weight of 244.31 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-8-cyclopropyl-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one is sourced from PubChem (CID 134965687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).