1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-1-one

C11H9F5O — CID 115792182

IUPAC1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-1-one
SMILESO=C(CCCC(F)(F)F)c1cccc(F)c1F
InChIInChI=1S/C11H9F5O/c12-8-4-1-3-7(10(8)13)9(17)5-2-6-11(14,15)16/h1,3-4H,2,5-6H2
InChIKeyCSTUPNPNBHRZIV-UHFFFAOYSA-N
MW252.18 g/mol
LogP3.88
Rot. Bonds4

About 1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-1-one

1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-1-one (PubChem CID 115792182) has the molecular formula C11H9F5O and a molecular weight of 252.18 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-1-one.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-1-one
PubChem CID115792182
Molecular FormulaC11H9F5O
Molecular Weight252.18 g/mol
Exact Mass252.06
IUPAC Name1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-1-one
SMILESO=C(CCCC(F)(F)F)c1cccc(F)c1F
InChIInChI=1S/C11H9F5O/c12-8-4-1-3-7(10(8)13)9(17)5-2-6-11(14,15)16/h1,3-4H,2,5-6H2
InChIKeyCSTUPNPNBHRZIV-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.18
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,5,5-trifluoro-1-(2,3,4-trifluorophenyl)pentan-1-one
CID 115792229
1-(2,3-difluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-1-one
CID 114059454
1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-one
CID 89480353
1-(4-chloro-2-fluorophenyl)-5,5,5-trifluoropentan-1-one
CID 115515852
1-(3-bromo-2-chlorophenyl)-5,5,5-trifluoropentan-1-one
CID 115792374
1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one
CID 114976662
2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride
CID 122360971
1-(2,3-difluorophenyl)propan-1-one;ethane
CID 158876194
1-(2,3-difluorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)butan-1-one
CID 24727860
2-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 113322083
1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-2-one
CID 79955039
4-(2-aminoethyl)-1-(2,3-difluorophenyl)-5,5-dimethylhexan-1-one
CID 116578395

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-1-one?
The IUPAC name of 1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-1-one (CID 115792182) is 1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-1-one.
What is the SMILES notation for 1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-1-one?
The canonical SMILES for 1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-1-one is O=C(CCCC(F)(F)F)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-1-one?
The InChIKey is CSTUPNPNBHRZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F5O/c12-8-4-1-3-7(10(8)13)9(17)5-2-6-11(14,15)16/h1,3-4H,2,5-6H2.
What are the key properties of 1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-1-one?
1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-1-one has a molecular weight of 252.18 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-1-one is sourced from PubChem (CID 115792182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).