2-chloro-4-fluoro-1-propan-2-yloxybenzene;1-chloro-4-propan-2-yloxybenzene;5-chloro-2-propan-2-yloxy-4-(trifluoromethyl)pyridine;1,3-dichloro-5-(2,3-dimethylbutan-2-yl)benzene;1,2-dichloro-4-propan-2-yloxybenzene;1,3-dichloro-5-(propan-2-yloxymethyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-yloxybenzene;5-fluoro-2-propan-2-ylpyridine;methane;1-propan-2-yloxy-2-(trifluoromethyl)benzene;1-propan-2-yloxy-3-(trifluoromethyl)benzene;1-propan-2-yloxy-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine

C134H166Cl9F19N4O9 — CID 158362096

IUPAC2-chloro-4-fluoro-1-propan-2-yloxybenzene;1-chloro-4-propan-2-yloxybenzene;5-chloro-2-propan-2-yloxy-4-(trifluoromethyl)pyridine;1,3-dichloro-5-(2,3-dimethylbutan-2-yl)benzene;1,2-dichloro-4-propan-2-yloxybenzene;1,3-dichloro-5-(propan-2-yloxymethyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-yloxybenzene;5-fluoro-2-propan-2-ylpyridine;methane;1-propan-2-yloxy-2-(trifluoromethyl)benzene;1-propan-2-yloxy-3-(trifluoromethyl)benzene;1-propan-2-yloxy-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine
SMILESC.C.C.CC(C)C(C)(C)c1cc(Cl)cc(Cl)c1.CC(C)OCc1cc(Cl)cc(Cl)c1.CC(C)Oc1cc(C(F)(F)F)c(Cl)cn1.CC(C)Oc1ccc(C(F)(F)F)cc1.CC(C)Oc1ccc(Cl)c(Cl)c1.CC(C)Oc1ccc(Cl)cc1.CC(C)Oc1ccc(F)cc1.CC(C)Oc1ccc(F)cc1Cl.CC(C)Oc1cccc(C(F)(F)F)c1.CC(C)Oc1ccccc1C(F)(F)F.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cn1.CC(C)c1ccccn1.CC(C)c1ccncc1C(F)(F)F
InChIInChI=1S/C12H16Cl2.C10H12Cl2O.3C10H11F3O.C9H10Cl2O.C9H9ClF3NO.C9H10ClFO.C9H11ClO.C9H10F3N.C9H11FO.C9H11F.C8H10FN.C8H11N.3CH4/c1-8(2)12(3,4)9-5-10(13)7-11(14)6-9;1-7(2)13-6-8-3-9(11)5-10(12)4-8;1-7(2)14-9-5-3-8(4-6-9)10(11,12)13;1-7(2)14-9-5-3-4-8(6-9)10(11,12)13;1-7(2)14-9-6-4-3-5-8(9)10(11,12)13;1-6(2)12-7-3-4-8(10)9(11)5-7;1-5(2)15-8-3-6(9(11,12)13)7(10)4-14-8;1-6(2)12-9-4-3-7(11)5-8(9)10;1-7(2)11-9-5-3-8(10)4-6-9;1-6(2)7-3-4-13-5-8(7)9(10,11)12;1-7(2)11-9-5-3-8(10)4-6-9;1-7(2)8-3-5-9(10)6-4-8;1-6(2)8-4-3-7(9)5-10-8;1-7(2)8-5-3-4-6-9-8;;;/h5-8H,1-4H3;3-5,7H,6H2,1-2H3;3*3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3*1H4
InChIKeyGTPDUMIUPXXGPH-UHFFFAOYSA-N
MW2656.86 g/mol
LogP48.28
Rot. Bonds25

About 2-chloro-4-fluoro-1-propan-2-yloxybenzene;1-chloro-4-propan-2-yloxybenzene;5-chloro-2-propan-2-yloxy-4-(trifluoromethyl)pyridine;1,3-dichloro-5-(2,3-dimethylbutan-2-yl)benzene;1,2-dichloro-4-propan-2-yloxybenzene;1,3-dichloro-5-(propan-2-yloxymethyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-yloxybenzene;5-fluoro-2-propan-2-ylpyridine;methane;1-propan-2-yloxy-2-(trifluoromethyl)benzene;1-propan-2-yloxy-3-(trifluoromethyl)benzene;1-propan-2-yloxy-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine

2-chloro-4-fluoro-1-propan-2-yloxybenzene;1-chloro-4-propan-2-yloxybenzene;5-chloro-2-propan-2-yloxy-4-(trifluoromethyl)pyridine;1,3-dichloro-5-(2,3-dimethylbutan-2-yl)benzene;1,2-dichloro-4-propan-2-yloxybenzene;1,3-dichloro-5-(propan-2-yloxymethyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-yloxybenzene;5-fluoro-2-propan-2-ylpyridine;methane;1-propan-2-yloxy-2-(trifluoromethyl)benzene;1-propan-2-yloxy-3-(trifluoromethyl)benzene;1-propan-2-yloxy-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine (PubChem CID 158362096) has the molecular formula C134H166Cl9F19N4O9 and a molecular weight of 2656.86 g/mol. Its IUPAC name is 2-chloro-4-fluoro-1-propan-2-yloxybenzene;1-chloro-4-propan-2-yloxybenzene;5-chloro-2-propan-2-yloxy-4-(trifluoromethyl)pyridine;1,3-dichloro-5-(2,3-dimethylbutan-2-yl)benzene;1,2-dichloro-4-propan-2-yloxybenzene;1,3-dichloro-5-(propan-2-yloxymethyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-yloxybenzene;5-fluoro-2-propan-2-ylpyridine;methane;1-propan-2-yloxy-2-(trifluoromethyl)benzene;1-propan-2-yloxy-3-(trifluoromethyl)benzene;1-propan-2-yloxy-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-fluoro-1-propan-2-yloxybenzene;1-chloro-4-propan-2-yloxybenzene;5-chloro-2-propan-2-yloxy-4-(trifluoromethyl)pyridine;1,3-dichloro-5-(2,3-dimethylbutan-2-yl)benzene;1,2-dichloro-4-propan-2-yloxybenzene;1,3-dichloro-5-(propan-2-yloxymethyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-yloxybenzene;5-fluoro-2-propan-2-ylpyridine;methane;1-propan-2-yloxy-2-(trifluoromethyl)benzene;1-propan-2-yloxy-3-(trifluoromethyl)benzene;1-propan-2-yloxy-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine
PubChem CID158362096
Molecular FormulaC134H166Cl9F19N4O9
Molecular Weight2656.86 g/mol
Exact Mass2650.95
IUPAC Name2-chloro-4-fluoro-1-propan-2-yloxybenzene;1-chloro-4-propan-2-yloxybenzene;5-chloro-2-propan-2-yloxy-4-(trifluoromethyl)pyridine;1,3-dichloro-5-(2,3-dimethylbutan-2-yl)benzene;1,2-dichloro-4-propan-2-yloxybenzene;1,3-dichloro-5-(propan-2-yloxymethyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-yloxybenzene;5-fluoro-2-propan-2-ylpyridine;methane;1-propan-2-yloxy-2-(trifluoromethyl)benzene;1-propan-2-yloxy-3-(trifluoromethyl)benzene;1-propan-2-yloxy-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine
SMILESC.C.C.CC(C)C(C)(C)c1cc(Cl)cc(Cl)c1.CC(C)OCc1cc(Cl)cc(Cl)c1.CC(C)Oc1cc(C(F)(F)F)c(Cl)cn1.CC(C)Oc1ccc(C(F)(F)F)cc1.CC(C)Oc1ccc(Cl)c(Cl)c1.CC(C)Oc1ccc(Cl)cc1.CC(C)Oc1ccc(F)cc1.CC(C)Oc1ccc(F)cc1Cl.CC(C)Oc1cccc(C(F)(F)F)c1.CC(C)Oc1ccccc1C(F)(F)F.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cn1.CC(C)c1ccccn1.CC(C)c1ccncc1C(F)(F)F
InChIInChI=1S/C12H16Cl2.C10H12Cl2O.3C10H11F3O.C9H10Cl2O.C9H9ClF3NO.C9H10ClFO.C9H11ClO.C9H10F3N.C9H11FO.C9H11F.C8H10FN.C8H11N.3CH4/c1-8(2)12(3,4)9-5-10(13)7-11(14)6-9;1-7(2)13-6-8-3-9(11)5-10(12)4-8;1-7(2)14-9-5-3-8(4-6-9)10(11,12)13;1-7(2)14-9-5-3-4-8(6-9)10(11,12)13;1-7(2)14-9-6-4-3-5-8(9)10(11,12)13;1-6(2)12-7-3-4-8(10)9(11)5-7;1-5(2)15-8-3-6(9(11,12)13)7(10)4-14-8;1-6(2)12-9-4-3-7(11)5-8(9)10;1-7(2)11-9-5-3-8(10)4-6-9;1-6(2)7-3-4-13-5-8(7)9(10,11)12;1-7(2)11-9-5-3-8(10)4-6-9;1-7(2)8-3-5-9(10)6-4-8;1-6(2)8-4-3-7(9)5-10-8;1-7(2)8-5-3-4-6-9-8;;;/h5-8H,1-4H3;3-5,7H,6H2,1-2H3;3*3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3*1H4
InChIKeyGTPDUMIUPXXGPH-UHFFFAOYSA-N
XLogP48.28
TPSA134.63 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002656.86
LogP ≤ 548.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-chloro-4-fluoro-1-propan-2-yloxybenzene;1-chloro-4-propan-2-yloxybenzene;5-chloro-2-propan-2-yloxy-4-(trifluoromethyl)pyridine;1,3-dichloro-5-(2,3-dimethylbutan-2-yl)benzene;1,2-dichloro-4-propan-2-yloxybenzene;1,3-dichloro-5-(propan-2-yloxymethyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-yloxybenzene;5-fluoro-2-propan-2-ylpyridine;methane;1-propan-2-yloxy-2-(trifluoromethyl)benzene;1-propan-2-yloxy-3-(trifluoromethyl)benzene;1-propan-2-yloxy-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-1-propan-2-yloxybenzene;1-chloro-4-propan-2-yloxybenzene;5-chloro-2-propan-2-yloxy-4-(trifluoromethyl)pyridine;1,3-dichloro-5-(2,3-dimethylbutan-2-yl)benzene;1,2-dichloro-4-propan-2-yloxybenzene;1,3-dichloro-5-(propan-2-yloxymethyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-yloxybenzene;5-fluoro-2-propan-2-ylpyridine;methane;1-propan-2-yloxy-2-(trifluoromethyl)benzene;1-propan-2-yloxy-3-(trifluoromethyl)benzene;1-propan-2-yloxy-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-4-fluoro-1-propan-2-yloxybenzene;1-chloro-4-propan-2-yloxybenzene;5-chloro-2-propan-2-yloxy-4-(trifluoromethyl)pyridine;1,3-dichloro-5-(2,3-dimethylbutan-2-yl)benzene;1,2-dichloro-4-propan-2-yloxybenzene;1,3-dichloro-5-(propan-2-yloxymethyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-yloxybenzene;5-fluoro-2-propan-2-ylpyridine;methane;1-propan-2-yloxy-2-(trifluoromethyl)benzene;1-propan-2-yloxy-3-(trifluoromethyl)benzene;1-propan-2-yloxy-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine (CID 158362096) is 2-chloro-4-fluoro-1-propan-2-yloxybenzene;1-chloro-4-propan-2-yloxybenzene;5-chloro-2-propan-2-yloxy-4-(trifluoromethyl)pyridine;1,3-dichloro-5-(2,3-dimethylbutan-2-yl)benzene;1,2-dichloro-4-propan-2-yloxybenzene;1,3-dichloro-5-(propan-2-yloxymethyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-yloxybenzene;5-fluoro-2-propan-2-ylpyridine;methane;1-propan-2-yloxy-2-(trifluoromethyl)benzene;1-propan-2-yloxy-3-(trifluoromethyl)benzene;1-propan-2-yloxy-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-4-fluoro-1-propan-2-yloxybenzene;1-chloro-4-propan-2-yloxybenzene;5-chloro-2-propan-2-yloxy-4-(trifluoromethyl)pyridine;1,3-dichloro-5-(2,3-dimethylbutan-2-yl)benzene;1,2-dichloro-4-propan-2-yloxybenzene;1,3-dichloro-5-(propan-2-yloxymethyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-yloxybenzene;5-fluoro-2-propan-2-ylpyridine;methane;1-propan-2-yloxy-2-(trifluoromethyl)benzene;1-propan-2-yloxy-3-(trifluoromethyl)benzene;1-propan-2-yloxy-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-4-fluoro-1-propan-2-yloxybenzene;1-chloro-4-propan-2-yloxybenzene;5-chloro-2-propan-2-yloxy-4-(trifluoromethyl)pyridine;1,3-dichloro-5-(2,3-dimethylbutan-2-yl)benzene;1,2-dichloro-4-propan-2-yloxybenzene;1,3-dichloro-5-(propan-2-yloxymethyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-yloxybenzene;5-fluoro-2-propan-2-ylpyridine;methane;1-propan-2-yloxy-2-(trifluoromethyl)benzene;1-propan-2-yloxy-3-(trifluoromethyl)benzene;1-propan-2-yloxy-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine is C.C.C.CC(C)C(C)(C)c1cc(Cl)cc(Cl)c1.CC(C)OCc1cc(Cl)cc(Cl)c1.CC(C)Oc1cc(C(F)(F)F)c(Cl)cn1.CC(C)Oc1ccc(C(F)(F)F)cc1.CC(C)Oc1ccc(Cl)c(Cl)c1.CC(C)Oc1ccc(Cl)cc1.CC(C)Oc1ccc(F)cc1.CC(C)Oc1ccc(F)cc1Cl.CC(C)Oc1cccc(C(F)(F)F)c1.CC(C)Oc1ccccc1C(F)(F)F.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cn1.CC(C)c1ccccn1.CC(C)c1ccncc1C(F)(F)F.
What is the InChIKey of 2-chloro-4-fluoro-1-propan-2-yloxybenzene;1-chloro-4-propan-2-yloxybenzene;5-chloro-2-propan-2-yloxy-4-(trifluoromethyl)pyridine;1,3-dichloro-5-(2,3-dimethylbutan-2-yl)benzene;1,2-dichloro-4-propan-2-yloxybenzene;1,3-dichloro-5-(propan-2-yloxymethyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-yloxybenzene;5-fluoro-2-propan-2-ylpyridine;methane;1-propan-2-yloxy-2-(trifluoromethyl)benzene;1-propan-2-yloxy-3-(trifluoromethyl)benzene;1-propan-2-yloxy-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine?
The InChIKey is GTPDUMIUPXXGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2.C10H12Cl2O.3C10H11F3O.C9H10Cl2O.C9H9ClF3NO.C9H10ClFO.C9H11ClO.C9H10F3N.C9H11FO.C9H11F.C8H10FN.C8H11N.3CH4/c1-8(2)12(3,4)9-5-10(13)7-11(14)6-9;1-7(2)13-6-8-3-9(11)5-10(12)4-8;1-7(2)14-9-5-3-8(4-6-9)10(11,12)13;1-7(2)14-9-5-3-4-8(6-9)10(11,12)13;1-7(2)14-9-6-4-3-5-8(9)10(11,12)13;1-6(2)12-7-3-4-8(10)9(11)5-7;1-5(2)15-8-3-6(9(11,12)13)7(10)4-14-8;1-6(2)12-9-4-3-7(11)5-8(9)10;1-7(2)11-9-5-3-8(10)4-6-9;1-6(2)7-3-4-13-5-8(7)9(10,11)12;1-7(2)11-9-5-3-8(10)4-6-9;1-7(2)8-3-5-9(10)6-4-8;1-6(2)8-4-3-7(9)5-10-8;1-7(2)8-5-3-4-6-9-8;;;/h5-8H,1-4H3;3-5,7H,6H2,1-2H3;3*3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3*1H4.
What are the key properties of 2-chloro-4-fluoro-1-propan-2-yloxybenzene;1-chloro-4-propan-2-yloxybenzene;5-chloro-2-propan-2-yloxy-4-(trifluoromethyl)pyridine;1,3-dichloro-5-(2,3-dimethylbutan-2-yl)benzene;1,2-dichloro-4-propan-2-yloxybenzene;1,3-dichloro-5-(propan-2-yloxymethyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-yloxybenzene;5-fluoro-2-propan-2-ylpyridine;methane;1-propan-2-yloxy-2-(trifluoromethyl)benzene;1-propan-2-yloxy-3-(trifluoromethyl)benzene;1-propan-2-yloxy-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine?
2-chloro-4-fluoro-1-propan-2-yloxybenzene;1-chloro-4-propan-2-yloxybenzene;5-chloro-2-propan-2-yloxy-4-(trifluoromethyl)pyridine;1,3-dichloro-5-(2,3-dimethylbutan-2-yl)benzene;1,2-dichloro-4-propan-2-yloxybenzene;1,3-dichloro-5-(propan-2-yloxymethyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-yloxybenzene;5-fluoro-2-propan-2-ylpyridine;methane;1-propan-2-yloxy-2-(trifluoromethyl)benzene;1-propan-2-yloxy-3-(trifluoromethyl)benzene;1-propan-2-yloxy-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine has a molecular weight of 2656.86 g/mol, XLogP of 48.28, 25 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-1-propan-2-yloxybenzene;1-chloro-4-propan-2-yloxybenzene;5-chloro-2-propan-2-yloxy-4-(trifluoromethyl)pyridine;1,3-dichloro-5-(2,3-dimethylbutan-2-yl)benzene;1,2-dichloro-4-propan-2-yloxybenzene;1,3-dichloro-5-(propan-2-yloxymethyl)benzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-yloxybenzene;5-fluoro-2-propan-2-ylpyridine;methane;1-propan-2-yloxy-2-(trifluoromethyl)benzene;1-propan-2-yloxy-3-(trifluoromethyl)benzene;1-propan-2-yloxy-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 158362096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).