1-(2-fluorophenyl)-3-(3-fluorophenyl)propan-2-one

C15H12F2O — CID 61219534

IUPAC1-(2-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
SMILESO=C(Cc1cccc(F)c1)Cc1ccccc1F
InChIInChI=1S/C15H12F2O/c16-13-6-3-4-11(8-13)9-14(18)10-12-5-1-2-7-15(12)17/h1-8H,9-10H2
InChIKeyAXRYLUOXCDLZTN-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.32
Rot. Bonds4

About 1-(2-fluorophenyl)-3-(3-fluorophenyl)propan-2-one

1-(2-fluorophenyl)-3-(3-fluorophenyl)propan-2-one (PubChem CID 61219534) has the molecular formula C15H12F2O and a molecular weight of 246.26 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(3-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
PubChem CID61219534
Molecular FormulaC15H12F2O
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name1-(2-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
SMILESO=C(Cc1cccc(F)c1)Cc1ccccc1F
InChIInChI=1S/C15H12F2O/c16-13-6-3-4-11(8-13)9-14(18)10-12-5-1-2-7-15(12)17/h1-8H,9-10H2
InChIKeyAXRYLUOXCDLZTN-UHFFFAOYSA-N
XLogP3.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(aminomethyl)phenyl]-3-(3-fluorophenyl)propan-2-one
CID 116595869
1-(4-chlorophenyl)-3-(3-fluorophenyl)propan-2-one
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1-(3-fluorophenyl)-3-hydroxypropan-2-one
CID 70264927
1-(3-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 66054204
1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 62621730
1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62621173
1-(4-tert-butylphenyl)-3-(3-fluorophenyl)propan-2-one
CID 63409516
3-(3-fluorophenyl)-2-oxopropane-1-sulfonic acid
CID 115038716
1-(3,5-difluorophenyl)-3-phenylpropan-2-one
CID 61496724
3-(2-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110666015
1-(3-fluorophenyl)-3-methylsulfonylpropan-2-one
CID 62474533
[3-(3-fluorophenyl)-2-oxopropyl]carbamic acid
CID 69133239

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(3-fluorophenyl)propan-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-(3-fluorophenyl)propan-2-one (CID 61219534) is 1-(2-fluorophenyl)-3-(3-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(3-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-(3-fluorophenyl)propan-2-one is O=C(Cc1cccc(F)c1)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(3-fluorophenyl)propan-2-one?
The InChIKey is AXRYLUOXCDLZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O/c16-13-6-3-4-11(8-13)9-14(18)10-12-5-1-2-7-15(12)17/h1-8H,9-10H2.
What are the key properties of 1-(2-fluorophenyl)-3-(3-fluorophenyl)propan-2-one?
1-(2-fluorophenyl)-3-(3-fluorophenyl)propan-2-one has a molecular weight of 246.26 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(3-fluorophenyl)propan-2-one is sourced from PubChem (CID 61219534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).