2-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]cyclooctan-1-one

C16H19F3O2 — CID 86210946

IUPAC2-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]cyclooctan-1-one
SMILESO=C1CCCCCCC1(O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H19F3O2/c17-16(18,19)13-8-6-12(7-9-13)11-15(21)10-4-2-1-3-5-14(15)20/h6-9,21H,1-5,10-11H2
InChIKeyRCVWWZPWKXDRID-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.90
Rot. Bonds2

About 2-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]cyclooctan-1-one

2-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]cyclooctan-1-one (PubChem CID 86210946) has the molecular formula C16H19F3O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]cyclooctan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]cyclooctan-1-one
PubChem CID86210946
Molecular FormulaC16H19F3O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name2-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]cyclooctan-1-one
SMILESO=C1CCCCCCC1(O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H19F3O2/c17-16(18,19)13-8-6-12(7-9-13)11-15(21)10-4-2-1-3-5-14(15)20/h6-9,21H,1-5,10-11H2
InChIKeyRCVWWZPWKXDRID-UHFFFAOYSA-N
XLogP3.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(bromomethyl)cyclohexyl]methyl]-4-(trifluoromethyl)benzene
CID 66050201
[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine
CID 62725893
1-[[1-(chloromethyl)cyclobutyl]methyl]-4-(trifluoromethyl)benzene
CID 66035096
5-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 104687321
(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 156803398
[(1R)-2-oxo-1-[4-(trifluoromethyl)phenyl]cyclohexyl] carbamate
CID 175467808
2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 65153585
2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 115058979
4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]oxane-3-carboxylic acid
CID 106470064
(2S)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 46741252
3-amino-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 80562098
1-[(4-tert-butylphenyl)methyl]cycloheptan-1-ol
CID 65147243

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]cyclooctan-1-one?
The IUPAC name of 2-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]cyclooctan-1-one (CID 86210946) is 2-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]cyclooctan-1-one.
What is the SMILES notation for 2-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]cyclooctan-1-one?
The canonical SMILES for 2-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]cyclooctan-1-one is O=C1CCCCCCC1(O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]cyclooctan-1-one?
The InChIKey is RCVWWZPWKXDRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3O2/c17-16(18,19)13-8-6-12(7-9-13)11-15(21)10-4-2-1-3-5-14(15)20/h6-9,21H,1-5,10-11H2.
What are the key properties of 2-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]cyclooctan-1-one?
2-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]cyclooctan-1-one has a molecular weight of 300.32 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]cyclooctan-1-one is sourced from PubChem (CID 86210946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).