4'-hydroxy-6-(trifluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-one

C15H15F3O2 — CID 70219036

IUPAC4'-hydroxy-6-(trifluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESO=C1c2cc(C(F)(F)F)ccc2CC12CCC(O)CC2
InChIInChI=1S/C15H15F3O2/c16-15(17,18)10-2-1-9-8-14(13(20)12(9)7-10)5-3-11(19)4-6-14/h1-2,7,11,19H,3-6,8H2
InChIKeyCIMXFGJNHNGVRX-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.37
Rot. Bonds

About 4'-hydroxy-6-(trifluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-one

4'-hydroxy-6-(trifluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-one (PubChem CID 70219036) has the molecular formula C15H15F3O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is 4'-hydroxy-6-(trifluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-one.

Molecular Properties

Compound Name4'-hydroxy-6-(trifluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-one
PubChem CID70219036
Molecular FormulaC15H15F3O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC Name4'-hydroxy-6-(trifluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESO=C1c2cc(C(F)(F)F)ccc2CC12CCC(O)CC2
InChIInChI=1S/C15H15F3O2/c16-15(17,18)10-2-1-9-8-14(13(20)12(9)7-10)5-3-11(19)4-6-14/h1-2,7,11,19H,3-6,8H2
InChIKeyCIMXFGJNHNGVRX-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Alcyopterosin N
CID 10728290
1-[4-[2,4-Bis(trifluoromethyl)phenyl]phenyl]-6-hydroxyhexan-1-one
CID 49865942
(2R)-2-[(R)-cyclohexyl(hydroxy)methyl]-2-fluoro-3H-inden-1-one
CID 134954057
(2R)-2-fluoro-2-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3H-inden-1-one
CID 134954828
(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydroinden-1-one
CID 134955309
5-[(2S)-1,1,1-trifluoro-2-(hydroxymethyl)but-3-en-2-yl]-2,3-dihydroinden-1-one
CID 164676463
6-[(2S)-1,1,1-trifluoro-2-(hydroxymethyl)but-3-en-2-yl]-2,3-dihydroinden-1-one
CID 164681869
4-(9H-fluoren-2-yl)-3,3-difluoro-4-oxobutanoic acid
CID 9926412
2-Hydroxy-6-(2,2,2-trifluoroacetyl)-2,3-dihydroinden-1-one
CID 23361012
4'-methoxy-6-(3,3,3-trifluoroprop-1-ynyl)spiro[3H-indene-2,1'-cyclohexane]-1-one
CID 58197494
4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
CID 58197557
5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
CID 58197996

Frequently Asked Questions

What is the IUPAC name of 4'-hydroxy-6-(trifluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-one?
The IUPAC name of 4'-hydroxy-6-(trifluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-one (CID 70219036) is 4'-hydroxy-6-(trifluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-one.
What is the SMILES notation for 4'-hydroxy-6-(trifluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-one?
The canonical SMILES for 4'-hydroxy-6-(trifluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-one is O=C1c2cc(C(F)(F)F)ccc2CC12CCC(O)CC2.
What is the InChIKey of 4'-hydroxy-6-(trifluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-one?
The InChIKey is CIMXFGJNHNGVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3O2/c16-15(17,18)10-2-1-9-8-14(13(20)12(9)7-10)5-3-11(19)4-6-14/h1-2,7,11,19H,3-6,8H2.
What are the key properties of 4'-hydroxy-6-(trifluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-one?
4'-hydroxy-6-(trifluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-one has a molecular weight of 284.28 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-hydroxy-6-(trifluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-one is sourced from PubChem (CID 70219036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).