1-(2,4,6-trifluorophenyl)hexan-1-one

C12H13F3O — CID 43160560

IUPAC1-(2,4,6-trifluorophenyl)hexan-1-one
SMILESCCCCCC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H13F3O/c1-2-3-4-5-11(16)12-9(14)6-8(13)7-10(12)15/h6-7H,2-5H2,1H3
InChIKeyIAHVYXBOIQCRNG-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.87
Rot. Bonds5

About 1-(2,4,6-trifluorophenyl)hexan-1-one

1-(2,4,6-trifluorophenyl)hexan-1-one (PubChem CID 43160560) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-(2,4,6-trifluorophenyl)hexan-1-one.

Molecular Properties

Compound Name1-(2,4,6-trifluorophenyl)hexan-1-one
PubChem CID43160560
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name1-(2,4,6-trifluorophenyl)hexan-1-one
SMILESCCCCCC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H13F3O/c1-2-3-4-5-11(16)12-9(14)6-8(13)7-10(12)15/h6-7H,2-5H2,1H3
InChIKeyIAHVYXBOIQCRNG-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-difluorophenyl)octan-1-one
CID 79522078
1-(2,4-difluorophenyl)dodecan-1-one
CID 65448734
3-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-one
CID 114969576
1-(2,4,5-trifluorophenyl)decan-1-one
CID 103301401
1-(2,5-difluorophenyl)dodecan-1-one
CID 65448171
1-(3-chloro-5-fluorophenyl)octan-1-one
CID 146005683
2-ethoxy-1-(2,4,6-trifluorophenyl)ethanone
CID 115782948
1-(2,4,6-trihydroxyphenyl)hexadecan-1-one
CID 23426751
1-(2,4,6-trihydroxy-3-octadecanoylphenyl)octadecan-1-one
CID 44571474
1-(3,4-difluorophenyl)heptan-1-one
CID 62622808
1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]hexan-1-one
CID 56790869
1-[3,5-di(dodecanoyl)phenyl]tetradecan-1-one
CID 14160625

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trifluorophenyl)hexan-1-one?
The IUPAC name of 1-(2,4,6-trifluorophenyl)hexan-1-one (CID 43160560) is 1-(2,4,6-trifluorophenyl)hexan-1-one.
What is the SMILES notation for 1-(2,4,6-trifluorophenyl)hexan-1-one?
The canonical SMILES for 1-(2,4,6-trifluorophenyl)hexan-1-one is CCCCCC(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 1-(2,4,6-trifluorophenyl)hexan-1-one?
The InChIKey is IAHVYXBOIQCRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c1-2-3-4-5-11(16)12-9(14)6-8(13)7-10(12)15/h6-7H,2-5H2,1H3.
What are the key properties of 1-(2,4,6-trifluorophenyl)hexan-1-one?
1-(2,4,6-trifluorophenyl)hexan-1-one has a molecular weight of 230.23 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trifluorophenyl)hexan-1-one is sourced from PubChem (CID 43160560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).