1-cyclohexyl-5,5,5-trifluoro-1-methoxypentan-2-one

C12H19F3O2 — CID 116750907

IUPAC1-cyclohexyl-5,5,5-trifluoro-1-methoxypentan-2-one
SMILESCOC(C(=O)CCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H19F3O2/c1-17-11(9-5-3-2-4-6-9)10(16)7-8-12(13,14)15/h9,11H,2-8H2,1H3
InChIKeyGQEZLZFQJFZSMU-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.49
Rot. Bonds5

About 1-cyclohexyl-5,5,5-trifluoro-1-methoxypentan-2-one

1-cyclohexyl-5,5,5-trifluoro-1-methoxypentan-2-one (PubChem CID 116750907) has the molecular formula C12H19F3O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-cyclohexyl-5,5,5-trifluoro-1-methoxypentan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-5,5,5-trifluoro-1-methoxypentan-2-one
PubChem CID116750907
Molecular FormulaC12H19F3O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name1-cyclohexyl-5,5,5-trifluoro-1-methoxypentan-2-one
SMILESCOC(C(=O)CCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H19F3O2/c1-17-11(9-5-3-2-4-6-9)10(16)7-8-12(13,14)15/h9,11H,2-8H2,1H3
InChIKeyGQEZLZFQJFZSMU-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-1-methoxypent-4-en-2-one
CID 116750869
5,5,5-trifluoro-1,1-dimethoxypentan-2-one
CID 79493425
3-cyclopentyl-1-cyclopropyl-1-methoxypropan-2-one
CID 116709029
1-cycloheptyl-1-ethoxypentan-2-one
CID 83226001
1-cyclopropyl-1-methoxybutan-2-one
CID 83225361
1-cyclopropyl-1-methoxytetradecan-2-one
CID 116708948
1-cyclopropyl-1-methoxyhex-5-en-2-one
CID 116708905
1-cyclohexyl-3-(2,6-dimethylphenyl)-1-methoxypropan-2-one
CID 116751104
N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutanamide
CID 81486060
3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-one
CID 116750878
1-cyclohexyl-1-methoxy-3-thiophen-2-ylpropan-2-one
CID 116750876
tert-butyl 4-cyclohexyl-4-methoxy-2-methyl-3-oxobutanoate
CID 116775028

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5,5,5-trifluoro-1-methoxypentan-2-one?
The IUPAC name of 1-cyclohexyl-5,5,5-trifluoro-1-methoxypentan-2-one (CID 116750907) is 1-cyclohexyl-5,5,5-trifluoro-1-methoxypentan-2-one.
What is the SMILES notation for 1-cyclohexyl-5,5,5-trifluoro-1-methoxypentan-2-one?
The canonical SMILES for 1-cyclohexyl-5,5,5-trifluoro-1-methoxypentan-2-one is COC(C(=O)CCC(F)(F)F)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5,5,5-trifluoro-1-methoxypentan-2-one?
The InChIKey is GQEZLZFQJFZSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3O2/c1-17-11(9-5-3-2-4-6-9)10(16)7-8-12(13,14)15/h9,11H,2-8H2,1H3.
What are the key properties of 1-cyclohexyl-5,5,5-trifluoro-1-methoxypentan-2-one?
1-cyclohexyl-5,5,5-trifluoro-1-methoxypentan-2-one has a molecular weight of 252.28 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5,5,5-trifluoro-1-methoxypentan-2-one is sourced from PubChem (CID 116750907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).