(3R)-2',3'-difluorospiro[cyclohexane-3,1'-indene]-1-one

C14H12F2O — CID 164853699

IUPAC(3R)-2',3'-difluorospiro[cyclohexane-3,1'-indene]-1-one
SMILESO=C1CCC[C@]2(C1)C(F)=C(F)c1ccccc12
InChIInChI=1S/C14H12F2O/c15-12-10-5-1-2-6-11(10)14(13(12)16)7-3-4-9(17)8-14/h1-2,5-6H,3-4,7-8H2/t14-/m1/s1
InChIKeyQSHQEXDWHMSKMQ-CQSZACIVSA-N
MW234.25 g/mol
LogP3.69
Rot. Bonds

About (3R)-2',3'-difluorospiro[cyclohexane-3,1'-indene]-1-one

(3R)-2',3'-difluorospiro[cyclohexane-3,1'-indene]-1-one (PubChem CID 164853699) has the molecular formula C14H12F2O and a molecular weight of 234.25 g/mol. Its IUPAC name is (3R)-2',3'-difluorospiro[cyclohexane-3,1'-indene]-1-one.

Molecular Properties

Compound Name(3R)-2',3'-difluorospiro[cyclohexane-3,1'-indene]-1-one
PubChem CID164853699
Molecular FormulaC14H12F2O
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name(3R)-2',3'-difluorospiro[cyclohexane-3,1'-indene]-1-one
SMILESO=C1CCC[C@]2(C1)C(F)=C(F)c1ccccc12
InChIInChI=1S/C14H12F2O/c15-12-10-5-1-2-6-11(10)14(13(12)16)7-3-4-9(17)8-14/h1-2,5-6H,3-4,7-8H2/t14-/m1/s1
InChIKeyQSHQEXDWHMSKMQ-CQSZACIVSA-N
XLogP3.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-2',3'-difluorospiro[cyclohexane-3,1'-indene]-1-one?
The IUPAC name of (3R)-2',3'-difluorospiro[cyclohexane-3,1'-indene]-1-one (CID 164853699) is (3R)-2',3'-difluorospiro[cyclohexane-3,1'-indene]-1-one.
What is the SMILES notation for (3R)-2',3'-difluorospiro[cyclohexane-3,1'-indene]-1-one?
The canonical SMILES for (3R)-2',3'-difluorospiro[cyclohexane-3,1'-indene]-1-one is O=C1CCC[C@]2(C1)C(F)=C(F)c1ccccc12.
What is the InChIKey of (3R)-2',3'-difluorospiro[cyclohexane-3,1'-indene]-1-one?
The InChIKey is QSHQEXDWHMSKMQ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H12F2O/c15-12-10-5-1-2-6-11(10)14(13(12)16)7-3-4-9(17)8-14/h1-2,5-6H,3-4,7-8H2/t14-/m1/s1.
What are the key properties of (3R)-2',3'-difluorospiro[cyclohexane-3,1'-indene]-1-one?
(3R)-2',3'-difluorospiro[cyclohexane-3,1'-indene]-1-one has a molecular weight of 234.25 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2',3'-difluorospiro[cyclohexane-3,1'-indene]-1-one is sourced from PubChem (CID 164853699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).