(1S)-3-hydroxy-3-(trifluoromethyl)spiro[2H-indene-1,3'-cyclohexane]-1'-one

C15H15F3O2 — CID 164853692

IUPAC(1S)-3-hydroxy-3-(trifluoromethyl)spiro[2H-indene-1,3'-cyclohexane]-1'-one
SMILESO=C1CCC[C@@]2(C1)CC(O)(C(F)(F)F)c1ccccc12
InChIInChI=1S/C15H15F3O2/c16-15(17,18)14(20)9-13(7-3-4-10(19)8-13)11-5-1-2-6-12(11)14/h1-2,5-6,20H,3-4,7-9H2/t13-,14?/m1/s1
InChIKeySQMQSTGNFASSTK-KWCCSABGSA-N
MW284.28 g/mol
LogP3.22
Rot. Bonds

About (1S)-3-hydroxy-3-(trifluoromethyl)spiro[2H-indene-1,3'-cyclohexane]-1'-one

(1S)-3-hydroxy-3-(trifluoromethyl)spiro[2H-indene-1,3'-cyclohexane]-1'-one (PubChem CID 164853692) has the molecular formula C15H15F3O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is (1S)-3-hydroxy-3-(trifluoromethyl)spiro[2H-indene-1,3'-cyclohexane]-1'-one.

Molecular Properties

Compound Name(1S)-3-hydroxy-3-(trifluoromethyl)spiro[2H-indene-1,3'-cyclohexane]-1'-one
PubChem CID164853692
Molecular FormulaC15H15F3O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC Name(1S)-3-hydroxy-3-(trifluoromethyl)spiro[2H-indene-1,3'-cyclohexane]-1'-one
SMILESO=C1CCC[C@@]2(C1)CC(O)(C(F)(F)F)c1ccccc12
InChIInChI=1S/C15H15F3O2/c16-15(17,18)14(20)9-13(7-3-4-10(19)8-13)11-5-1-2-6-12(11)14/h1-2,5-6,20H,3-4,7-9H2/t13-,14?/m1/s1
InChIKeySQMQSTGNFASSTK-KWCCSABGSA-N
XLogP3.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-3-hydroxy-3-(trifluoromethyl)spiro[2H-indene-1,3'-cyclohexane]-1'-one?
The IUPAC name of (1S)-3-hydroxy-3-(trifluoromethyl)spiro[2H-indene-1,3'-cyclohexane]-1'-one (CID 164853692) is (1S)-3-hydroxy-3-(trifluoromethyl)spiro[2H-indene-1,3'-cyclohexane]-1'-one.
What is the SMILES notation for (1S)-3-hydroxy-3-(trifluoromethyl)spiro[2H-indene-1,3'-cyclohexane]-1'-one?
The canonical SMILES for (1S)-3-hydroxy-3-(trifluoromethyl)spiro[2H-indene-1,3'-cyclohexane]-1'-one is O=C1CCC[C@@]2(C1)CC(O)(C(F)(F)F)c1ccccc12.
What is the InChIKey of (1S)-3-hydroxy-3-(trifluoromethyl)spiro[2H-indene-1,3'-cyclohexane]-1'-one?
The InChIKey is SQMQSTGNFASSTK-KWCCSABGSA-N. The full InChI is InChI=1S/C15H15F3O2/c16-15(17,18)14(20)9-13(7-3-4-10(19)8-13)11-5-1-2-6-12(11)14/h1-2,5-6,20H,3-4,7-9H2/t13-,14?/m1/s1.
What are the key properties of (1S)-3-hydroxy-3-(trifluoromethyl)spiro[2H-indene-1,3'-cyclohexane]-1'-one?
(1S)-3-hydroxy-3-(trifluoromethyl)spiro[2H-indene-1,3'-cyclohexane]-1'-one has a molecular weight of 284.28 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-hydroxy-3-(trifluoromethyl)spiro[2H-indene-1,3'-cyclohexane]-1'-one is sourced from PubChem (CID 164853692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).