1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-1-one

C10H15F3O2 — CID 10966144

IUPAC1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-1-one
SMILESO=C(CC(O)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H15F3O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h7,9,15H,1-6H2
InChIKeyQRYCNQAKTWSDJX-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.45
Rot. Bonds3

About 1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-1-one

1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-1-one (PubChem CID 10966144) has the molecular formula C10H15F3O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-1-one
PubChem CID10966144
Molecular FormulaC10H15F3O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-1-one
SMILESO=C(CC(O)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H15F3O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h7,9,15H,1-6H2
InChIKeyQRYCNQAKTWSDJX-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-1-one?
The IUPAC name of 1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-1-one (CID 10966144) is 1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-1-one.
What is the SMILES notation for 1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-1-one?
The canonical SMILES for 1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-1-one is O=C(CC(O)C(F)(F)F)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-1-one?
The InChIKey is QRYCNQAKTWSDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h7,9,15H,1-6H2.
What are the key properties of 1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-1-one?
1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-1-one has a molecular weight of 224.22 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-1-one is sourced from PubChem (CID 10966144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).