bis(4-fluorophenyl)methanone;chlorobenzene;1-chloro-4-[dichloro-(4-chlorophenyl)methyl]benzene;1-[dichloro-(4-fluorophenyl)methyl]-4-fluorobenzene;methane;tetrachloromethane;hydrate

C50H47Cl11F4O2 — CID 157326540

IUPACbis(4-fluorophenyl)methanone;chlorobenzene;1-chloro-4-[dichloro-(4-chlorophenyl)methyl]benzene;1-[dichloro-(4-fluorophenyl)methyl]-4-fluorobenzene;methane;tetrachloromethane;hydrate
SMILESC.C.C.C.ClC(Cl)(Cl)Cl.Clc1ccc(C(Cl)(Cl)c2ccc(Cl)cc2)cc1.Clc1ccccc1.Fc1ccc(C(Cl)(Cl)c2ccc(F)cc2)cc1.O.O=C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C13H8Cl4.C13H8Cl2F2.C13H8F2O.C6H5Cl.CCl4.4CH4.H2O/c14-11-5-1-9(2-6-11)13(16,17)10-3-7-12(15)8-4-10;14-13(15,9-1-5-11(16)6-2-9)10-3-7-12(17)8-4-10;14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;7-6-4-2-1-3-5-6;2-1(3,4)5;;;;;/h2*1-8H;1-8H;1-5H;;4*1H4;1H2
InChIKeyMPMCUBMBIIRUHW-UHFFFAOYSA-N
MW1145.90 g/mol
LogP20.12
Rot. Bonds6

About bis(4-fluorophenyl)methanone;chlorobenzene;1-chloro-4-[dichloro-(4-chlorophenyl)methyl]benzene;1-[dichloro-(4-fluorophenyl)methyl]-4-fluorobenzene;methane;tetrachloromethane;hydrate

bis(4-fluorophenyl)methanone;chlorobenzene;1-chloro-4-[dichloro-(4-chlorophenyl)methyl]benzene;1-[dichloro-(4-fluorophenyl)methyl]-4-fluorobenzene;methane;tetrachloromethane;hydrate (PubChem CID 157326540) has the molecular formula C50H47Cl11F4O2 and a molecular weight of 1145.90 g/mol. Its IUPAC name is bis(4-fluorophenyl)methanone;chlorobenzene;1-chloro-4-[dichloro-(4-chlorophenyl)methyl]benzene;1-[dichloro-(4-fluorophenyl)methyl]-4-fluorobenzene;methane;tetrachloromethane;hydrate.

Molecular Properties

Compound Namebis(4-fluorophenyl)methanone;chlorobenzene;1-chloro-4-[dichloro-(4-chlorophenyl)methyl]benzene;1-[dichloro-(4-fluorophenyl)methyl]-4-fluorobenzene;methane;tetrachloromethane;hydrate
PubChem CID157326540
Molecular FormulaC50H47Cl11F4O2
Molecular Weight1145.90 g/mol
Exact Mass1140.01
IUPAC Namebis(4-fluorophenyl)methanone;chlorobenzene;1-chloro-4-[dichloro-(4-chlorophenyl)methyl]benzene;1-[dichloro-(4-fluorophenyl)methyl]-4-fluorobenzene;methane;tetrachloromethane;hydrate
SMILESC.C.C.C.ClC(Cl)(Cl)Cl.Clc1ccc(C(Cl)(Cl)c2ccc(Cl)cc2)cc1.Clc1ccccc1.Fc1ccc(C(Cl)(Cl)c2ccc(F)cc2)cc1.O.O=C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C13H8Cl4.C13H8Cl2F2.C13H8F2O.C6H5Cl.CCl4.4CH4.H2O/c14-11-5-1-9(2-6-11)13(16,17)10-3-7-12(15)8-4-10;14-13(15,9-1-5-11(16)6-2-9)10-3-7-12(17)8-4-10;14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;7-6-4-2-1-3-5-6;2-1(3,4)5;;;;;/h2*1-8H;1-8H;1-5H;;4*1H4;1H2
InChIKeyMPMCUBMBIIRUHW-UHFFFAOYSA-N
XLogP20.12
TPSA48.57 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001145.90
LogP ≤ 520.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze bis(4-fluorophenyl)methanone;chlorobenzene;1-chloro-4-[dichloro-(4-chlorophenyl)methyl]benzene;1-[dichloro-(4-fluorophenyl)methyl]-4-fluorobenzene;methane;tetrachloromethane;hydrate with MolForge

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Related Compounds

bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
(4-fluorophenyl)-phenylmethanone
CID 161464622
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
1-chloro-4-[dichloro(phenyl)methyl]benzene
CID 11000180
4-[dichloro(phenyl)methyl]benzoic acid
CID 57006403
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
chlorobenzene;fluorobenzene;dihydrate
CID 174541294
[4-[chloro(diphenyl)methyl]phenyl]-phenylmethanone
CID 12666774
chlorobenzene;fluorobenzene
CID 19024180
(4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone;1-chloro-4-(trichloromethyl)benzene;1,2-dimethoxybenzene
CID 158526476
(4-chlorophenyl)-[4-(2-sulfanylpropan-2-yl)phenyl]methanone
CID 18779865
adamantane;(4-fluorophenyl)-phenylmethanone
CID 174728613

Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)methanone;chlorobenzene;1-chloro-4-[dichloro-(4-chlorophenyl)methyl]benzene;1-[dichloro-(4-fluorophenyl)methyl]-4-fluorobenzene;methane;tetrachloromethane;hydrate?
The IUPAC name of 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) is bis(4-fluorophenyl)methanone;chlorobenzene;1-chloro-4-[dichloro-(4-chlorophenyl)methyl]benzene;1-[dichloro-(4-fluorophenyl)methyl]-4-fluorobenzene;methane;tetrachloromethane;hydrate.
What is the SMILES notation for bis(4-fluorophenyl)methanone;chlorobenzene;1-chloro-4-[dichloro-(4-chlorophenyl)methyl]benzene;1-[dichloro-(4-fluorophenyl)methyl]-4-fluorobenzene;methane;tetrachloromethane;hydrate?
The canonical SMILES for bis(4-fluorophenyl)methanone;chlorobenzene;1-chloro-4-[dichloro-(4-chlorophenyl)methyl]benzene;1-[dichloro-(4-fluorophenyl)methyl]-4-fluorobenzene;methane;tetrachloromethane;hydrate is C.C.C.C.ClC(Cl)(Cl)Cl.Clc1ccc(C(Cl)(Cl)c2ccc(Cl)cc2)cc1.Clc1ccccc1.Fc1ccc(C(Cl)(Cl)c2ccc(F)cc2)cc1.O.O=C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of bis(4-fluorophenyl)methanone;chlorobenzene;1-chloro-4-[dichloro-(4-chlorophenyl)methyl]benzene;1-[dichloro-(4-fluorophenyl)methyl]-4-fluorobenzene;methane;tetrachloromethane;hydrate?
The InChIKey is MPMCUBMBIIRUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4.C13H8Cl2F2.C13H8F2O.C6H5Cl.CCl4.4CH4.H2O/c14-11-5-1-9(2-6-11)13(16,17)10-3-7-12(15)8-4-10;14-13(15,9-1-5-11(16)6-2-9)10-3-7-12(17)8-4-10;14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;7-6-4-2-1-3-5-6;2-1(3,4)5;;;;;/h2*1-8H;1-8H;1-5H;;4*1H4;1H2.
What are the key properties of bis(4-fluorophenyl)methanone;chlorobenzene;1-chloro-4-[dichloro-(4-chlorophenyl)methyl]benzene;1-[dichloro-(4-fluorophenyl)methyl]-4-fluorobenzene;methane;tetrachloromethane;hydrate?
bis(4-fluorophenyl)methanone;chlorobenzene;1-chloro-4-[dichloro-(4-chlorophenyl)methyl]benzene;1-[dichloro-(4-fluorophenyl)methyl]-4-fluorobenzene;methane;tetrachloromethane;hydrate has a molecular weight of 1145.90 g/mol, XLogP of 20.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)methanone;chlorobenzene;1-chloro-4-[dichloro-(4-chlorophenyl)methyl]benzene;1-[dichloro-(4-fluorophenyl)methyl]-4-fluorobenzene;methane;tetrachloromethane;hydrate is sourced from PubChem (CID 157326540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).