bis(2-fluorophenyl)methanone;[2-fluoro-6-(2-fluorobenzoyl)phenyl]-phenylmethanone

C33H20F4O3 — CID 130332180

IUPACbis(2-fluorophenyl)methanone;[2-fluoro-6-(2-fluorobenzoyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1F)c1cccc(F)c1C(=O)c1ccccc1.O=C(c1ccccc1F)c1ccccc1F
InChIInChI=1S/C20H12F2O2.C13H8F2O/c21-16-11-5-4-9-14(16)20(24)15-10-6-12-17(22)18(15)19(23)13-7-2-1-3-8-13;14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-12H;1-8H
InChIKeyWILGYNDAMKNCGI-UHFFFAOYSA-N
MW540.51 g/mol
LogP7.62
Rot. Bonds6

About bis(2-fluorophenyl)methanone;[2-fluoro-6-(2-fluorobenzoyl)phenyl]-phenylmethanone

bis(2-fluorophenyl)methanone;[2-fluoro-6-(2-fluorobenzoyl)phenyl]-phenylmethanone (PubChem CID 130332180) has the molecular formula C33H20F4O3 and a molecular weight of 540.51 g/mol. Its IUPAC name is bis(2-fluorophenyl)methanone;[2-fluoro-6-(2-fluorobenzoyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Namebis(2-fluorophenyl)methanone;[2-fluoro-6-(2-fluorobenzoyl)phenyl]-phenylmethanone
PubChem CID130332180
Molecular FormulaC33H20F4O3
Molecular Weight540.51 g/mol
Exact Mass540.13
IUPAC Namebis(2-fluorophenyl)methanone;[2-fluoro-6-(2-fluorobenzoyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1F)c1cccc(F)c1C(=O)c1ccccc1.O=C(c1ccccc1F)c1ccccc1F
InChIInChI=1S/C20H12F2O2.C13H8F2O/c21-16-11-5-4-9-14(16)20(24)15-10-6-12-17(22)18(15)19(23)13-7-2-1-3-8-13;14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-12H;1-8H
InChIKeyWILGYNDAMKNCGI-UHFFFAOYSA-N
XLogP7.62
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.51
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
(3-fluoro-2-hydroxyphenyl)-phenylmethanone
CID 10512885
(2-fluorophenyl)-(4-hydroxyphenyl)methanone
CID 2783235
(2,6-dichlorophenyl)-(2-fluorophenyl)methanone
CID 13127035
(2-fluorophenyl)-(3-iodophenyl)methanone
CID 24722822
(2,6-difluorophenyl)-(2-hydroxyphenyl)methanone
CID 135044829
(2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301189
2-fluorobenzoic acid;oxalic acid;hydrate
CID 172785033
(2-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 55181517
1-benzothiophen-7-yl-(2-fluorophenyl)methanone
CID 81152936
(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 57261811
(2-ethylphenyl)-(2-fluorophenyl)methanone
CID 83393999

Frequently Asked Questions

What is the IUPAC name of bis(2-fluorophenyl)methanone;[2-fluoro-6-(2-fluorobenzoyl)phenyl]-phenylmethanone?
The IUPAC name of bis(2-fluorophenyl)methanone;[2-fluoro-6-(2-fluorobenzoyl)phenyl]-phenylmethanone (CID 130332180) is bis(2-fluorophenyl)methanone;[2-fluoro-6-(2-fluorobenzoyl)phenyl]-phenylmethanone.
What is the SMILES notation for bis(2-fluorophenyl)methanone;[2-fluoro-6-(2-fluorobenzoyl)phenyl]-phenylmethanone?
The canonical SMILES for bis(2-fluorophenyl)methanone;[2-fluoro-6-(2-fluorobenzoyl)phenyl]-phenylmethanone is O=C(c1ccccc1F)c1cccc(F)c1C(=O)c1ccccc1.O=C(c1ccccc1F)c1ccccc1F.
What is the InChIKey of bis(2-fluorophenyl)methanone;[2-fluoro-6-(2-fluorobenzoyl)phenyl]-phenylmethanone?
The InChIKey is WILGYNDAMKNCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2O2.C13H8F2O/c21-16-11-5-4-9-14(16)20(24)15-10-6-12-17(22)18(15)19(23)13-7-2-1-3-8-13;14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-12H;1-8H.
What are the key properties of bis(2-fluorophenyl)methanone;[2-fluoro-6-(2-fluorobenzoyl)phenyl]-phenylmethanone?
bis(2-fluorophenyl)methanone;[2-fluoro-6-(2-fluorobenzoyl)phenyl]-phenylmethanone has a molecular weight of 540.51 g/mol, XLogP of 7.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-fluorophenyl)methanone;[2-fluoro-6-(2-fluorobenzoyl)phenyl]-phenylmethanone is sourced from PubChem (CID 130332180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).