chloromethane;tridecakis(2,2-dimethylpropylbenzene);ethane;fluoromethane;methane;toluene;1,1,1-trifluoroethane

C186H324Cl4F8 — CID 158684200

IUPACchloromethane;tridecakis(2,2-dimethylpropylbenzene);ethane;fluoromethane;methane;toluene;1,1,1-trifluoroethane
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(F)(F)F.CCl.CCl.CCl.CCl.CF.CF.CF.CF.CF.Cc1ccccc1
InChIInChI=1S/13C11H16.C7H8.C2H3F3.11C2H6.4CH3Cl.5CH3F.3CH4/c13*1-11(2,3)9-10-7-5-4-6-8-10;1-7-5-3-2-4-6-7;1-2(3,4)5;20*1-2;;;/h13*4-8H,9H2,1-3H3;2-6H,1H3;1H3;11*1-2H3;9*1H3;3*1H4
InChIKeyIFNGORIVZMNTSC-UHFFFAOYSA-N
MW2854.43 g/mol
LogP65.69
Rot. Bonds13

About chloromethane;tridecakis(2,2-dimethylpropylbenzene);ethane;fluoromethane;methane;toluene;1,1,1-trifluoroethane

chloromethane;tridecakis(2,2-dimethylpropylbenzene);ethane;fluoromethane;methane;toluene;1,1,1-trifluoroethane (PubChem CID 158684200) has the molecular formula C186H324Cl4F8 and a molecular weight of 2854.43 g/mol. Its IUPAC name is chloromethane;tridecakis(2,2-dimethylpropylbenzene);ethane;fluoromethane;methane;toluene;1,1,1-trifluoroethane.

Molecular Properties

Compound Namechloromethane;tridecakis(2,2-dimethylpropylbenzene);ethane;fluoromethane;methane;toluene;1,1,1-trifluoroethane
PubChem CID158684200
Molecular FormulaC186H324Cl4F8
Molecular Weight2854.43 g/mol
Exact Mass2850.40
IUPAC Namechloromethane;tridecakis(2,2-dimethylpropylbenzene);ethane;fluoromethane;methane;toluene;1,1,1-trifluoroethane
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(F)(F)F.CCl.CCl.CCl.CCl.CF.CF.CF.CF.CF.Cc1ccccc1
InChIInChI=1S/13C11H16.C7H8.C2H3F3.11C2H6.4CH3Cl.5CH3F.3CH4/c13*1-11(2,3)9-10-7-5-4-6-8-10;1-7-5-3-2-4-6-7;1-2(3,4)5;20*1-2;;;/h13*4-8H,9H2,1-3H3;2-6H,1H3;1H3;11*1-2H3;9*1H3;3*1H4
InChIKeyIFNGORIVZMNTSC-UHFFFAOYSA-N
XLogP65.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms198
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002854.43
LogP ≤ 565.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropylbenzene;methanol
CID 157125736
(2-fluoro-2-methylpropyl)benzene
CID 14343442
1-(2,2-dimethylpropyl)-4-phenylbenzene
CID 23381564
ethane;2,2,2-trifluoroethylbenzene
CID 142152613
chloromethane;toluene
CID 178022822
1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol
CID 143347604
2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane
CID 159235518
2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane
CID 144517677
bromo(trifluoro)methane;toluene
CID 162166956
2-chloro-2-methylpropane;toluene
CID 67707971
methane;propane;toluene;1,1,1-trifluoropropane
CID 157453698
chloromethane;toluene;dihydrochloride
CID 174689155

Frequently Asked Questions

What is the IUPAC name of chloromethane;tridecakis(2,2-dimethylpropylbenzene);ethane;fluoromethane;methane;toluene;1,1,1-trifluoroethane?
The IUPAC name of chloromethane;tridecakis(2,2-dimethylpropylbenzene);ethane;fluoromethane;methane;toluene;1,1,1-trifluoroethane (CID 158684200) is chloromethane;tridecakis(2,2-dimethylpropylbenzene);ethane;fluoromethane;methane;toluene;1,1,1-trifluoroethane.
What is the SMILES notation for chloromethane;tridecakis(2,2-dimethylpropylbenzene);ethane;fluoromethane;methane;toluene;1,1,1-trifluoroethane?
The canonical SMILES for chloromethane;tridecakis(2,2-dimethylpropylbenzene);ethane;fluoromethane;methane;toluene;1,1,1-trifluoroethane is C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(F)(F)F.CCl.CCl.CCl.CCl.CF.CF.CF.CF.CF.Cc1ccccc1.
What is the InChIKey of chloromethane;tridecakis(2,2-dimethylpropylbenzene);ethane;fluoromethane;methane;toluene;1,1,1-trifluoroethane?
The InChIKey is IFNGORIVZMNTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/13C11H16.C7H8.C2H3F3.11C2H6.4CH3Cl.5CH3F.3CH4/c13*1-11(2,3)9-10-7-5-4-6-8-10;1-7-5-3-2-4-6-7;1-2(3,4)5;20*1-2;;;/h13*4-8H,9H2,1-3H3;2-6H,1H3;1H3;11*1-2H3;9*1H3;3*1H4.
What are the key properties of chloromethane;tridecakis(2,2-dimethylpropylbenzene);ethane;fluoromethane;methane;toluene;1,1,1-trifluoroethane?
chloromethane;tridecakis(2,2-dimethylpropylbenzene);ethane;fluoromethane;methane;toluene;1,1,1-trifluoroethane has a molecular weight of 2854.43 g/mol, XLogP of 65.69, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;tridecakis(2,2-dimethylpropylbenzene);ethane;fluoromethane;methane;toluene;1,1,1-trifluoroethane is sourced from PubChem (CID 158684200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).