3-fluoro-1-(3-fluorophenyl)propan-1-one

C9H8F2O — CID 56986088

IUPAC3-fluoro-1-(3-fluorophenyl)propan-1-one
SMILESO=C(CCF)c1cccc(F)c1
InChIInChI=1S/C9H8F2O/c10-5-4-9(12)7-2-1-3-8(11)6-7/h1-3,6H,4-5H2
InChIKeyXRGMZUDXXTWNLL-UHFFFAOYSA-N
MW170.16 g/mol
LogP2.37
Rot. Bonds3

About 3-fluoro-1-(3-fluorophenyl)propan-1-one

3-fluoro-1-(3-fluorophenyl)propan-1-one (PubChem CID 56986088) has the molecular formula C9H8F2O and a molecular weight of 170.16 g/mol. Its IUPAC name is 3-fluoro-1-(3-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-fluoro-1-(3-fluorophenyl)propan-1-one
PubChem CID56986088
Molecular FormulaC9H8F2O
Molecular Weight170.16 g/mol
Exact Mass170.05
IUPAC Name3-fluoro-1-(3-fluorophenyl)propan-1-one
SMILESO=C(CCF)c1cccc(F)c1
InChIInChI=1S/C9H8F2O/c10-5-4-9(12)7-2-1-3-8(11)6-7/h1-3,6H,4-5H2
InChIKeyXRGMZUDXXTWNLL-UHFFFAOYSA-N
XLogP2.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(3-fluorophenyl)-4-oxobutyl]carbamic acid
CID 151142544
3-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)propan-1-one
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1-(3-fluorophenyl)-2-isocyanoethanone
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1-(3-fluorophenyl)-2-methylselanylethanone
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3-(1,3-dihydroisoindol-2-yl)-1-(3-fluorophenyl)propan-1-one
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1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
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3-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726035
3-(3,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726448
3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62643544
3-(3,4-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 79183544
(E,4Z)-5-bromo-4-ethylidene-1-(3-fluorophenyl)hept-5-en-1-one;ethane
CID 143693627
3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726289

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(3-fluorophenyl)propan-1-one?
The IUPAC name of 3-fluoro-1-(3-fluorophenyl)propan-1-one (CID 56986088) is 3-fluoro-1-(3-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-fluoro-1-(3-fluorophenyl)propan-1-one?
The canonical SMILES for 3-fluoro-1-(3-fluorophenyl)propan-1-one is O=C(CCF)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-1-(3-fluorophenyl)propan-1-one?
The InChIKey is XRGMZUDXXTWNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O/c10-5-4-9(12)7-2-1-3-8(11)6-7/h1-3,6H,4-5H2.
What are the key properties of 3-fluoro-1-(3-fluorophenyl)propan-1-one?
3-fluoro-1-(3-fluorophenyl)propan-1-one has a molecular weight of 170.16 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(3-fluorophenyl)propan-1-one is sourced from PubChem (CID 56986088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).