2-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexan-1-one

C8H11F3O2 — CID 10943406

IUPAC2-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexan-1-one
SMILESO=C1CCCCC1C(O)C(F)(F)F
InChIInChI=1S/C8H11F3O2/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h5,7,13H,1-4H2
InChIKeyQYKJWBGZUCBSKG-UHFFFAOYSA-N
MW196.17 g/mol
LogP1.67
Rot. Bonds1

About 2-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexan-1-one

2-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexan-1-one (PubChem CID 10943406) has the molecular formula C8H11F3O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is 2-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexan-1-one
PubChem CID10943406
Molecular FormulaC8H11F3O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name2-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexan-1-one
SMILESO=C1CCCCC1C(O)C(F)(F)F
InChIInChI=1S/C8H11F3O2/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h5,7,13H,1-4H2
InChIKeyQYKJWBGZUCBSKG-UHFFFAOYSA-N
XLogP1.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexan-1-one?
The IUPAC name of 2-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexan-1-one (CID 10943406) is 2-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexan-1-one.
What is the SMILES notation for 2-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexan-1-one?
The canonical SMILES for 2-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexan-1-one is O=C1CCCCC1C(O)C(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexan-1-one?
The InChIKey is QYKJWBGZUCBSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O2/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h5,7,13H,1-4H2.
What are the key properties of 2-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexan-1-one?
2-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexan-1-one has a molecular weight of 196.17 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexan-1-one is sourced from PubChem (CID 10943406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).