(2S,2'S)-2'-(3-fluorophenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one

C17H13FO — CID 15473560

IUPAC(2S,2'S)-2'-(3-fluorophenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
SMILESO=C1c2ccccc2C[C@]12C[C@H]2c1cccc(F)c1
InChIInChI=1S/C17H13FO/c18-13-6-3-5-11(8-13)15-10-17(15)9-12-4-1-2-7-14(12)16(17)19/h1-8,15H,9-10H2/t15-,17+/m0/s1
InChIKeyQGJNBPPKJGBWLO-DOTOQJQBSA-N
MW252.29 g/mol
LogP3.74
Rot. Bonds1

About (2S,2'S)-2'-(3-fluorophenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one

(2S,2'S)-2'-(3-fluorophenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one (PubChem CID 15473560) has the molecular formula C17H13FO and a molecular weight of 252.29 g/mol. Its IUPAC name is (2S,2'S)-2'-(3-fluorophenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one.

Molecular Properties

Compound Name(2S,2'S)-2'-(3-fluorophenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
PubChem CID15473560
Molecular FormulaC17H13FO
Molecular Weight252.29 g/mol
Exact Mass252.10
IUPAC Name(2S,2'S)-2'-(3-fluorophenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
SMILESO=C1c2ccccc2C[C@]12C[C@H]2c1cccc(F)c1
InChIInChI=1S/C17H13FO/c18-13-6-3-5-11(8-13)15-10-17(15)9-12-4-1-2-7-14(12)16(17)19/h1-8,15H,9-10H2/t15-,17+/m0/s1
InChIKeyQGJNBPPKJGBWLO-DOTOQJQBSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,2'R)-2'-(4-fluorophenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
CID 15473555
(2S,2'S)-2'-(3-methoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
CID 15473548
(2S,2'S)-2'-(3,4,5-trimethoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
CID 15473546
1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
CID 53276276
(2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one
CID 736601
1-chloro-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
CID 152624369
(4S,5S)-4-(3-methoxyphenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one
CID 7200871
(2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one
CID 70363390
(2'S,3R)-2'-phenylspiro[2H-chromene-3,1'-cyclopropane]-4-one
CID 7084615
(2R)-2-(3-fluorophenyl)cyclobutan-1-one
CID 129416002
2-(3-fluorophenyl)-1-propylcyclopropan-1-amine
CID 84665026
1-cyclobutyl-2-(3-fluorophenyl)cyclopropan-1-amine
CID 84673435

Frequently Asked Questions

What is the IUPAC name of (2S,2'S)-2'-(3-fluorophenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one?
The IUPAC name of (2S,2'S)-2'-(3-fluorophenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one (CID 15473560) is (2S,2'S)-2'-(3-fluorophenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one.
What is the SMILES notation for (2S,2'S)-2'-(3-fluorophenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one?
The canonical SMILES for (2S,2'S)-2'-(3-fluorophenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one is O=C1c2ccccc2C[C@]12C[C@H]2c1cccc(F)c1.
What is the InChIKey of (2S,2'S)-2'-(3-fluorophenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one?
The InChIKey is QGJNBPPKJGBWLO-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H13FO/c18-13-6-3-5-11(8-13)15-10-17(15)9-12-4-1-2-7-14(12)16(17)19/h1-8,15H,9-10H2/t15-,17+/m0/s1.
What are the key properties of (2S,2'S)-2'-(3-fluorophenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one?
(2S,2'S)-2'-(3-fluorophenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one has a molecular weight of 252.29 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,2'S)-2'-(3-fluorophenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one is sourced from PubChem (CID 15473560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).