bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone

C26H16Cl2F2O2 — CID 159883474

IUPACbis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.O=C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C13H8Cl2O.C13H8F2O/c2*14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h2*1-8H
InChIKeyNTVGNDONYJQOJW-UHFFFAOYSA-N
MW469.31 g/mol
LogP7.42
Rot. Bonds4

About bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone

bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone (PubChem CID 159883474) has the molecular formula C26H16Cl2F2O2 and a molecular weight of 469.31 g/mol. Its IUPAC name is bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone.

Molecular Properties

Compound Namebis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
PubChem CID159883474
Molecular FormulaC26H16Cl2F2O2
Molecular Weight469.31 g/mol
Exact Mass468.05
IUPAC Namebis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.O=C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C13H8Cl2O.C13H8F2O/c2*14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h2*1-8H
InChIKeyNTVGNDONYJQOJW-UHFFFAOYSA-N
XLogP7.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.31
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
CID 1375859
(4-fluorophenyl)-phenylmethanone
CID 161464622
bis(4-fluorophenyl)methanone;chlorobenzene;1-chloro-4-[dichloro-(4-chlorophenyl)methyl]benzene;1-[dichloro-(4-fluorophenyl)methyl]-4-fluorobenzene;methane;tetrachloromethane;hydrate
CID 157326540
(4-chlorophenyl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 10399889
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
[4-(chloromethyl)phenyl]-(4-fluorophenyl)methanone
CID 18779900
[5-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4H-pyridin-3-yl]-(4-chlorophenyl)methanone
CID 102584820
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
1-chloro-4-[2,2-difluoro-1-(4-fluorophenyl)ethenyl]benzene
CID 11715966
potassium 4-(4-fluorobenzoyl)phenolate
CID 102457690
[4-(4-fluorobenzoyl)phenyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7931102
bis(4-chlorophenyl)methanone;(4-bromophenyl)-(4-fluorophenyl)methanone;1-(4-bromophenyl)sulfonyl-4-fluorobenzene;1-chloro-4-(4-chlorophenyl)sulfonylbenzene;(4-chlorophenyl)-(4-fluorophenyl)methanone;1-(4-chlorophenyl)sulfonyl-4-fluorobenzene;1-fluoro-4-(4-iodophenyl)sulfonylbenzene;(4-fluorophenyl)-(4-iodophenyl)methanone
CID 160739447

Frequently Asked Questions

What is the IUPAC name of bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone?
The IUPAC name of bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone (CID 159883474) is bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone.
What is the SMILES notation for bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone?
The canonical SMILES for bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.O=C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone?
The InChIKey is NTVGNDONYJQOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O.C13H8F2O/c2*14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h2*1-8H.
What are the key properties of bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone?
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone has a molecular weight of 469.31 g/mol, XLogP of 7.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone is sourced from PubChem (CID 159883474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).