1-chloro-2-fluoro-3,4,5-tri(propan-2-yl)benzene;1-chloro-2,3,4-tri(propan-2-yl)benzene;bis(1,2-dichloro-3,4,5-tri(propan-2-yl)benzene);1,2-difluoro-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;bis(1-methyl-2,3,4-tri(propan-2-yl)benzene);1,2,3,4-tetra(propan-2-yl)benzene

C140H216Cl6F4 — CID 158113771

IUPAC1-chloro-2-fluoro-3,4,5-tri(propan-2-yl)benzene;1-chloro-2,3,4-tri(propan-2-yl)benzene;bis(1,2-dichloro-3,4,5-tri(propan-2-yl)benzene);1,2-difluoro-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;bis(1-methyl-2,3,4-tri(propan-2-yl)benzene);1,2,3,4-tetra(propan-2-yl)benzene
SMILESCC(C)c1cc(Cl)c(Cl)c(C(C)C)c1C(C)C.CC(C)c1cc(Cl)c(Cl)c(C(C)C)c1C(C)C.CC(C)c1cc(Cl)c(F)c(C(C)C)c1C(C)C.CC(C)c1cc(F)c(F)c(C(C)C)c1C(C)C.CC(C)c1ccc(C(C)C)c(C(C)C)c1C(C)C.CC(C)c1ccc(Cl)c(C(C)C)c1C(C)C.CC(C)c1ccc(F)c(C(C)C)c1C(C)C.Cc1ccc(C(C)C)c(C(C)C)c1C(C)C.Cc1ccc(C(C)C)c(C(C)C)c1C(C)C
InChIInChI=1S/C18H30.2C16H26.2C15H22Cl2.C15H22ClF.C15H23Cl.C15H22F2.C15H23F/c1-11(2)15-9-10-16(12(3)4)18(14(7)8)17(15)13(5)6;2*1-10(2)14-9-8-13(7)15(11(3)4)16(14)12(5)6;3*1-8(2)11-7-12(16)15(17)14(10(5)6)13(11)9(3)4;1-9(2)12-7-8-13(16)15(11(5)6)14(12)10(3)4;1-8(2)11-7-12(16)15(17)14(10(5)6)13(11)9(3)4;1-9(2)12-7-8-13(16)15(11(5)6)14(12)10(3)4/h9-14H,1-8H3;2*8-12H,1-7H3;3*7-10H,1-6H3;7-11H,1-6H3;7-10H,1-6H3;7-11H,1-6H3
InChIKeyFQTGPNCSZHEIOR-UHFFFAOYSA-N
MW2187.98 g/mol
LogP51.73
Rot. Bonds28

About 1-chloro-2-fluoro-3,4,5-tri(propan-2-yl)benzene;1-chloro-2,3,4-tri(propan-2-yl)benzene;bis(1,2-dichloro-3,4,5-tri(propan-2-yl)benzene);1,2-difluoro-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;bis(1-methyl-2,3,4-tri(propan-2-yl)benzene);1,2,3,4-tetra(propan-2-yl)benzene

1-chloro-2-fluoro-3,4,5-tri(propan-2-yl)benzene;1-chloro-2,3,4-tri(propan-2-yl)benzene;bis(1,2-dichloro-3,4,5-tri(propan-2-yl)benzene);1,2-difluoro-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;bis(1-methyl-2,3,4-tri(propan-2-yl)benzene);1,2,3,4-tetra(propan-2-yl)benzene (PubChem CID 158113771) has the molecular formula C140H216Cl6F4 and a molecular weight of 2187.98 g/mol. Its IUPAC name is 1-chloro-2-fluoro-3,4,5-tri(propan-2-yl)benzene;1-chloro-2,3,4-tri(propan-2-yl)benzene;bis(1,2-dichloro-3,4,5-tri(propan-2-yl)benzene);1,2-difluoro-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;bis(1-methyl-2,3,4-tri(propan-2-yl)benzene);1,2,3,4-tetra(propan-2-yl)benzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-3,4,5-tri(propan-2-yl)benzene;1-chloro-2,3,4-tri(propan-2-yl)benzene;bis(1,2-dichloro-3,4,5-tri(propan-2-yl)benzene);1,2-difluoro-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;bis(1-methyl-2,3,4-tri(propan-2-yl)benzene);1,2,3,4-tetra(propan-2-yl)benzene
PubChem CID158113771
Molecular FormulaC140H216Cl6F4
Molecular Weight2187.98 g/mol
Exact Mass2183.50
IUPAC Name1-chloro-2-fluoro-3,4,5-tri(propan-2-yl)benzene;1-chloro-2,3,4-tri(propan-2-yl)benzene;bis(1,2-dichloro-3,4,5-tri(propan-2-yl)benzene);1,2-difluoro-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;bis(1-methyl-2,3,4-tri(propan-2-yl)benzene);1,2,3,4-tetra(propan-2-yl)benzene
SMILESCC(C)c1cc(Cl)c(Cl)c(C(C)C)c1C(C)C.CC(C)c1cc(Cl)c(Cl)c(C(C)C)c1C(C)C.CC(C)c1cc(Cl)c(F)c(C(C)C)c1C(C)C.CC(C)c1cc(F)c(F)c(C(C)C)c1C(C)C.CC(C)c1ccc(C(C)C)c(C(C)C)c1C(C)C.CC(C)c1ccc(Cl)c(C(C)C)c1C(C)C.CC(C)c1ccc(F)c(C(C)C)c1C(C)C.Cc1ccc(C(C)C)c(C(C)C)c1C(C)C.Cc1ccc(C(C)C)c(C(C)C)c1C(C)C
InChIInChI=1S/C18H30.2C16H26.2C15H22Cl2.C15H22ClF.C15H23Cl.C15H22F2.C15H23F/c1-11(2)15-9-10-16(12(3)4)18(14(7)8)17(15)13(5)6;2*1-10(2)14-9-8-13(7)15(11(3)4)16(14)12(5)6;3*1-8(2)11-7-12(16)15(17)14(10(5)6)13(11)9(3)4;1-9(2)12-7-8-13(16)15(11(5)6)14(12)10(3)4;1-8(2)11-7-12(16)15(17)14(10(5)6)13(11)9(3)4;1-9(2)12-7-8-13(16)15(11(5)6)14(12)10(3)4/h9-14H,1-8H3;2*8-12H,1-7H3;3*7-10H,1-6H3;7-11H,1-6H3;7-10H,1-6H3;7-11H,1-6H3
InChIKeyFQTGPNCSZHEIOR-UHFFFAOYSA-N
XLogP51.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002187.98
LogP ≤ 551.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-2-fluoro-3,4,5-tri(propan-2-yl)benzene;1-chloro-2,3,4-tri(propan-2-yl)benzene;bis(1,2-dichloro-3,4,5-tri(propan-2-yl)benzene);1,2-difluoro-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;bis(1-methyl-2,3,4-tri(propan-2-yl)benzene);1,2,3,4-tetra(propan-2-yl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-3,4,5-tri(propan-2-yl)benzene;1-chloro-2,3,4-tri(propan-2-yl)benzene;bis(1,2-dichloro-3,4,5-tri(propan-2-yl)benzene);1,2-difluoro-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;bis(1-methyl-2,3,4-tri(propan-2-yl)benzene);1,2,3,4-tetra(propan-2-yl)benzene?
The IUPAC name of 1-chloro-2-fluoro-3,4,5-tri(propan-2-yl)benzene;1-chloro-2,3,4-tri(propan-2-yl)benzene;bis(1,2-dichloro-3,4,5-tri(propan-2-yl)benzene);1,2-difluoro-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;bis(1-methyl-2,3,4-tri(propan-2-yl)benzene);1,2,3,4-tetra(propan-2-yl)benzene (CID 158113771) is 1-chloro-2-fluoro-3,4,5-tri(propan-2-yl)benzene;1-chloro-2,3,4-tri(propan-2-yl)benzene;bis(1,2-dichloro-3,4,5-tri(propan-2-yl)benzene);1,2-difluoro-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;bis(1-methyl-2,3,4-tri(propan-2-yl)benzene);1,2,3,4-tetra(propan-2-yl)benzene.
What is the SMILES notation for 1-chloro-2-fluoro-3,4,5-tri(propan-2-yl)benzene;1-chloro-2,3,4-tri(propan-2-yl)benzene;bis(1,2-dichloro-3,4,5-tri(propan-2-yl)benzene);1,2-difluoro-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;bis(1-methyl-2,3,4-tri(propan-2-yl)benzene);1,2,3,4-tetra(propan-2-yl)benzene?
The canonical SMILES for 1-chloro-2-fluoro-3,4,5-tri(propan-2-yl)benzene;1-chloro-2,3,4-tri(propan-2-yl)benzene;bis(1,2-dichloro-3,4,5-tri(propan-2-yl)benzene);1,2-difluoro-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;bis(1-methyl-2,3,4-tri(propan-2-yl)benzene);1,2,3,4-tetra(propan-2-yl)benzene is CC(C)c1cc(Cl)c(Cl)c(C(C)C)c1C(C)C.CC(C)c1cc(Cl)c(Cl)c(C(C)C)c1C(C)C.CC(C)c1cc(Cl)c(F)c(C(C)C)c1C(C)C.CC(C)c1cc(F)c(F)c(C(C)C)c1C(C)C.CC(C)c1ccc(C(C)C)c(C(C)C)c1C(C)C.CC(C)c1ccc(Cl)c(C(C)C)c1C(C)C.CC(C)c1ccc(F)c(C(C)C)c1C(C)C.Cc1ccc(C(C)C)c(C(C)C)c1C(C)C.Cc1ccc(C(C)C)c(C(C)C)c1C(C)C.
What is the InChIKey of 1-chloro-2-fluoro-3,4,5-tri(propan-2-yl)benzene;1-chloro-2,3,4-tri(propan-2-yl)benzene;bis(1,2-dichloro-3,4,5-tri(propan-2-yl)benzene);1,2-difluoro-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;bis(1-methyl-2,3,4-tri(propan-2-yl)benzene);1,2,3,4-tetra(propan-2-yl)benzene?
The InChIKey is FQTGPNCSZHEIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30.2C16H26.2C15H22Cl2.C15H22ClF.C15H23Cl.C15H22F2.C15H23F/c1-11(2)15-9-10-16(12(3)4)18(14(7)8)17(15)13(5)6;2*1-10(2)14-9-8-13(7)15(11(3)4)16(14)12(5)6;3*1-8(2)11-7-12(16)15(17)14(10(5)6)13(11)9(3)4;1-9(2)12-7-8-13(16)15(11(5)6)14(12)10(3)4;1-8(2)11-7-12(16)15(17)14(10(5)6)13(11)9(3)4;1-9(2)12-7-8-13(16)15(11(5)6)14(12)10(3)4/h9-14H,1-8H3;2*8-12H,1-7H3;3*7-10H,1-6H3;7-11H,1-6H3;7-10H,1-6H3;7-11H,1-6H3.
What are the key properties of 1-chloro-2-fluoro-3,4,5-tri(propan-2-yl)benzene;1-chloro-2,3,4-tri(propan-2-yl)benzene;bis(1,2-dichloro-3,4,5-tri(propan-2-yl)benzene);1,2-difluoro-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;bis(1-methyl-2,3,4-tri(propan-2-yl)benzene);1,2,3,4-tetra(propan-2-yl)benzene?
1-chloro-2-fluoro-3,4,5-tri(propan-2-yl)benzene;1-chloro-2,3,4-tri(propan-2-yl)benzene;bis(1,2-dichloro-3,4,5-tri(propan-2-yl)benzene);1,2-difluoro-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;bis(1-methyl-2,3,4-tri(propan-2-yl)benzene);1,2,3,4-tetra(propan-2-yl)benzene has a molecular weight of 2187.98 g/mol, XLogP of 51.73, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-3,4,5-tri(propan-2-yl)benzene;1-chloro-2,3,4-tri(propan-2-yl)benzene;bis(1,2-dichloro-3,4,5-tri(propan-2-yl)benzene);1,2-difluoro-3,4,5-tri(propan-2-yl)benzene;1-fluoro-2,3,4-tri(propan-2-yl)benzene;bis(1-methyl-2,3,4-tri(propan-2-yl)benzene);1,2,3,4-tetra(propan-2-yl)benzene is sourced from PubChem (CID 158113771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).