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

C11H9F5O — CID 79955039

IUPAC1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-2-one
SMILESO=C(CCC(F)(F)F)Cc1cccc(F)c1F
InChIInChI=1S/C11H9F5O/c12-9-3-1-2-7(10(9)13)6-8(17)4-5-11(14,15)16/h1-3H,4-6H2
InChIKeyXAWNPPPHINRJCU-UHFFFAOYSA-N
MW252.18 g/mol
LogP3.42
Rot. Bonds4

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

1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-2-one (PubChem CID 79955039) 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-2-one.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-2-one
PubChem CID79955039
Molecular FormulaC11H9F5O
Molecular Weight252.18 g/mol
Exact Mass252.06
IUPAC Name1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-2-one
SMILESO=C(CCC(F)(F)F)Cc1cccc(F)c1F
InChIInChI=1S/C11H9F5O/c12-9-3-1-2-7(10(9)13)6-8(17)4-5-11(14,15)16/h1-3H,4-6H2
InChIKeyXAWNPPPHINRJCU-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-1-(2,3-difluorophenyl)butan-2-one
CID 116550836
5-chloro-1-(2,3-difluorophenyl)pentan-2-one
CID 66044922
5-amino-1-(2,3-difluorophenyl)hexan-2-one
CID 116571825
1-chloro-3-(2,3-difluorophenyl)-1,1-difluoropropan-2-one
CID 112574814
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
1-(2,3-difluorophenyl)-4-propoxybutan-2-one
CID 105091205
1-(2,6-dichlorophenyl)-5,5,5-trifluoropentan-2-one
CID 64567976
1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one
CID 116553856
2-(2,3-difluorophenyl)-N-[2-(3,3,3-trifluoropropyl)phenyl]acetamide
CID 122143183
6-amino-1-(2,3-difluorophenyl)heptan-2-one
CID 116610280
methyl 4-(2,3-difluorophenyl)-3-oxobutanoate
CID 45156338
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 79522311

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-2-one?
The IUPAC name of 1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-2-one (CID 79955039) is 1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-2-one.
What is the SMILES notation for 1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-2-one?
The canonical SMILES for 1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-2-one is O=C(CCC(F)(F)F)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-2-one?
The InChIKey is XAWNPPPHINRJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F5O/c12-9-3-1-2-7(10(9)13)6-8(17)4-5-11(14,15)16/h1-3H,4-6H2.
What are the key properties of 1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-2-one?
1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-2-one has a molecular weight of 252.18 g/mol, XLogP of 3.42, 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-2-one is sourced from PubChem (CID 79955039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).