5,5,5-trifluoro-2,4-dimethyl-1-phenylpentan-1-one

C13H15F3O — CID 54076054

IUPAC5,5,5-trifluoro-2,4-dimethyl-1-phenylpentan-1-one
SMILESCC(CC(C)C(F)(F)F)C(=O)c1ccccc1
InChIInChI=1S/C13H15F3O/c1-9(8-10(2)13(14,15)16)12(17)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyMJTBGTTYNPZVMA-UHFFFAOYSA-N
MW244.26 g/mol
LogP4.09
Rot. Bonds4

About 5,5,5-trifluoro-2,4-dimethyl-1-phenylpentan-1-one

5,5,5-trifluoro-2,4-dimethyl-1-phenylpentan-1-one (PubChem CID 54076054) has the molecular formula C13H15F3O and a molecular weight of 244.26 g/mol. Its IUPAC name is 5,5,5-trifluoro-2,4-dimethyl-1-phenylpentan-1-one.

Molecular Properties

Compound Name5,5,5-trifluoro-2,4-dimethyl-1-phenylpentan-1-one
PubChem CID54076054
Molecular FormulaC13H15F3O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name5,5,5-trifluoro-2,4-dimethyl-1-phenylpentan-1-one
SMILESCC(CC(C)C(F)(F)F)C(=O)c1ccccc1
InChIInChI=1S/C13H15F3O/c1-9(8-10(2)13(14,15)16)12(17)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyMJTBGTTYNPZVMA-UHFFFAOYSA-N
XLogP4.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-4-oxo-4-phenylbutanoic acid
CID 12559087
(3S)-3-methyl-4-oxo-4-phenylbutanoic acid
CID 51900528
(2S,3R)-4,4,4-trifluoro-3-hydroxy-2-methyl-1-phenylbutan-1-one
CID 101153138
potassium trifluoro-(2-methyl-3-oxo-3-phenylpropyl)boranuide
CID 25215129
4-hydroxy-2-methyl-1-phenylhex-5-en-1-one
CID 139841493
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 104845048
4-chloro-2-methyl-1-phenylheptan-1-one
CID 20528468
3,3,4,5,5,5-hexafluoro-2-methyl-1-phenylpentan-1-one
CID 139779383
trifluoromethyl 2-methyl-3-oxo-3-phenylpropanoate
CID 70173692
5-hydroxy-2-methyl-1-phenylpentan-1-one
CID 67106278
2-methyl-1,4-diphenylbutan-1-one
CID 11413736
4-cyclopropyl-2-methyl-1-phenylbutan-1-one
CID 104845058

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-2,4-dimethyl-1-phenylpentan-1-one?
The IUPAC name of 5,5,5-trifluoro-2,4-dimethyl-1-phenylpentan-1-one (CID 54076054) is 5,5,5-trifluoro-2,4-dimethyl-1-phenylpentan-1-one.
What is the SMILES notation for 5,5,5-trifluoro-2,4-dimethyl-1-phenylpentan-1-one?
The canonical SMILES for 5,5,5-trifluoro-2,4-dimethyl-1-phenylpentan-1-one is CC(CC(C)C(F)(F)F)C(=O)c1ccccc1.
What is the InChIKey of 5,5,5-trifluoro-2,4-dimethyl-1-phenylpentan-1-one?
The InChIKey is MJTBGTTYNPZVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O/c1-9(8-10(2)13(14,15)16)12(17)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-2,4-dimethyl-1-phenylpentan-1-one?
5,5,5-trifluoro-2,4-dimethyl-1-phenylpentan-1-one has a molecular weight of 244.26 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-2,4-dimethyl-1-phenylpentan-1-one is sourced from PubChem (CID 54076054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).