2-chloro-1-[2,2-difluoropropoxy(2,2,2-trifluoroethoxy)methyl]-4-propan-2-ylbenzene;2-chloro-1-ethoxy-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-propan-2-ylphenol;4-ethyl-2-fluoro-1-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;1-(3-ethylpentan-3-yl)-4-propan-2-ylbenzene;2-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethoxymethyl)benzene;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene

C151H214Cl2F12O10S — CID 158872176

About 2-chloro-1-[2,2-difluoropropoxy(2,2,2-trifluoroethoxy)methyl]-4-propan-2-ylbenzene;2-chloro-1-ethoxy-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-propan-2-ylphenol;4-ethyl-2-fluoro-1-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;1-(3-ethylpentan-3-yl)-4-propan-2-ylbenzene;2-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethoxymethyl)benzene;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene

2-chloro-1-[2,2-difluoropropoxy(2,2,2-trifluoroethoxy)methyl]-4-propan-2-ylbenzene;2-chloro-1-ethoxy-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-propan-2-ylphenol;4-ethyl-2-fluoro-1-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;1-(3-ethylpentan-3-yl)-4-propan-2-ylbenzene;2-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethoxymethyl)benzene;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene (PubChem CID 158872176) has the molecular formula C151H214Cl2F12O10S and a molecular weight of 2520.31 g/mol. Its IUPAC name is 2-chloro-1-[2,2-difluoropropoxy(2,2,2-trifluoroethoxy)methyl]-4-propan-2-ylbenzene;2-chloro-1-ethoxy-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-propan-2-ylphenol;4-ethyl-2-fluoro-1-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;1-(3-ethylpentan-3-yl)-4-propan-2-ylbenzene;2-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethoxymethyl)benzene;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene.

Molecular Properties

• Compound Name: 2-chloro-1-[2,2-difluoropropoxy(2,2,2-trifluoroethoxy)methyl]-4-propan-2-ylbenzene;2-chloro-1-ethoxy-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-propan-2-ylphenol;4-ethyl-2-fluoro-1-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;1-(3-ethylpentan-3-yl)-4-propan-2-ylbenzene;2-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethoxymethyl)benzene;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene
• PubChem CID: 158872176
• Molecular Formula: C151H214Cl2F12O10S
• Molecular Weight: 2520.31 g/mol
• Exact Mass: 2517.51
• IUPAC Name: 2-chloro-1-[2,2-difluoropropoxy(2,2,2-trifluoroethoxy)methyl]-4-propan-2-ylbenzene;2-chloro-1-ethoxy-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-propan-2-ylphenol;4-ethyl-2-fluoro-1-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;1-(3-ethylpentan-3-yl)-4-propan-2-ylbenzene;2-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethoxymethyl)benzene;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene
• SMILES: CC(C)CS(=O)(=O)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(OCC(C)(F)F)OCC(F)(F)F)c(Cl)c1.CC(C)c1ccc(O)c(C(C)(F)F)c1.CC(C)c1ccc(OCC2CC2)c(F)c1.CCC(C)(C)c1ccc(C(C)C)cc1.CCC(CC)(CC)c1ccc(C(C)C)cc1.CCOc1ccc(C(C)C)cc1Cl.CCc1ccc(C(C)C)c(C)c1.CCc1ccc(C(C)C)c(F)c1.COc1cc(C(C)C)ccc1COCC(F)(F)F.Cc1cc(C(C)C)cc(C)c1C.Cc1ccc(C(C)C)cc1O
• InChI: InChI=1S/C16H26.C15H18ClF5O2.C14H22.C13H17F3O2.C13H17FO.C13H20O2S.2C12H18.C11H15ClO.C11H14F2O.C11H15F.C10H14O/c1-6-16(7-2,8-3)15-11-9-14(10-12-15)13(4)5;1-9(2)10-4-5-11(12(16)6-10)13(22-7-14(3,17)18)23-8-15(19,20)21;1-6-14(4,5)13-9-7-12(8-10-13)11(2)3;1-9(2)10-4-5-11(12(6-10)17-3)7-18-8-13(14,15)16;1-9(2)11-5-6-13(12(14)7-11)15-8-10-3-4-10;1-10(2)9-16(14,15)13-7-5-12(6-8-13)11(3)4;1-8(2)12-6-9(3)11(5)10(4)7-12;1-5-11-6-7-12(9(2)3)10(4)8-11;1-4-13-11-6-5-9(8(2)3)7-10(11)12;1-7(2)8-4-5-10(14)9(6-8)11(3,12)13;1-4-9-5-6-10(8(2)3)11(12)7-9;1-7(2)9-5-4-8(3)10(11)6-9/h9-13H,6-8H2,1-5H3;4-6,9,13H,7-8H2,1-3H3;7-11H,6H2,1-5H3;4-6,9H,7-8H2,1-3H3;5-7,9-10H,3-4,8H2,1-2H3;5-8,10-11H,9H2,1-4H3;6-8H,1-5H3;6-9H,5H2,1-4H3;5-8H,4H2,1-3H3;4-7,14H,1-3H3;5-8H,4H2,1-3H3;4-7,11H,1-3H3
• InChIKey: JBZCXJLLHKJWIN-UHFFFAOYSA-N
• XLogP: 47.60
• TPSA: 129.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 39
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2520.31
LogP ≤ 5	47.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[2,2-difluoropropoxy(2,2,2-trifluoroethoxy)methyl]-4-propan-2-ylbenzene;2-chloro-1-ethoxy-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-propan-2-ylphenol;4-ethyl-2-fluoro-1-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;1-(3-ethylpentan-3-yl)-4-propan-2-ylbenzene;2-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethoxymethyl)benzene;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene?

The IUPAC name of 2-chloro-1-[2,2-difluoropropoxy(2,2,2-trifluoroethoxy)methyl]-4-propan-2-ylbenzene;2-chloro-1-ethoxy-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-propan-2-ylphenol;4-ethyl-2-fluoro-1-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;1-(3-ethylpentan-3-yl)-4-propan-2-ylbenzene;2-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethoxymethyl)benzene;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene (CID 158872176) is 2-chloro-1-[2,2-difluoropropoxy(2,2,2-trifluoroethoxy)methyl]-4-propan-2-ylbenzene;2-chloro-1-ethoxy-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-propan-2-ylphenol;4-ethyl-2-fluoro-1-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;1-(3-ethylpentan-3-yl)-4-propan-2-ylbenzene;2-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethoxymethyl)benzene;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene.

What is the SMILES notation for 2-chloro-1-[2,2-difluoropropoxy(2,2,2-trifluoroethoxy)methyl]-4-propan-2-ylbenzene;2-chloro-1-ethoxy-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-propan-2-ylphenol;4-ethyl-2-fluoro-1-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;1-(3-ethylpentan-3-yl)-4-propan-2-ylbenzene;2-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethoxymethyl)benzene;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene?

The canonical SMILES for 2-chloro-1-[2,2-difluoropropoxy(2,2,2-trifluoroethoxy)methyl]-4-propan-2-ylbenzene;2-chloro-1-ethoxy-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-propan-2-ylphenol;4-ethyl-2-fluoro-1-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;1-(3-ethylpentan-3-yl)-4-propan-2-ylbenzene;2-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethoxymethyl)benzene;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene is CC(C)CS(=O)(=O)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(OCC(C)(F)F)OCC(F)(F)F)c(Cl)c1.CC(C)c1ccc(O)c(C(C)(F)F)c1.CC(C)c1ccc(OCC2CC2)c(F)c1.CCC(C)(C)c1ccc(C(C)C)cc1.CCC(CC)(CC)c1ccc(C(C)C)cc1.CCOc1ccc(C(C)C)cc1Cl.CCc1ccc(C(C)C)c(C)c1.CCc1ccc(C(C)C)c(F)c1.COc1cc(C(C)C)ccc1COCC(F)(F)F.Cc1cc(C(C)C)cc(C)c1C.Cc1ccc(C(C)C)cc1O.

What is the InChIKey of 2-chloro-1-[2,2-difluoropropoxy(2,2,2-trifluoroethoxy)methyl]-4-propan-2-ylbenzene;2-chloro-1-ethoxy-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-propan-2-ylphenol;4-ethyl-2-fluoro-1-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;1-(3-ethylpentan-3-yl)-4-propan-2-ylbenzene;2-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethoxymethyl)benzene;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene?

The InChIKey is JBZCXJLLHKJWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26.C15H18ClF5O2.C14H22.C13H17F3O2.C13H17FO.C13H20O2S.2C12H18.C11H15ClO.C11H14F2O.C11H15F.C10H14O/c1-6-16(7-2,8-3)15-11-9-14(10-12-15)13(4)5;1-9(2)10-4-5-11(12(16)6-10)13(22-7-14(3,17)18)23-8-15(19,20)21;1-6-14(4,5)13-9-7-12(8-10-13)11(2)3;1-9(2)10-4-5-11(12(6-10)17-3)7-18-8-13(14,15)16;1-9(2)11-5-6-13(12(14)7-11)15-8-10-3-4-10;1-10(2)9-16(14,15)13-7-5-12(6-8-13)11(3)4;1-8(2)12-6-9(3)11(5)10(4)7-12;1-5-11-6-7-12(9(2)3)10(4)8-11;1-4-13-11-6-5-9(8(2)3)7-10(11)12;1-7(2)8-4-5-10(14)9(6-8)11(3,12)13;1-4-9-5-6-10(8(2)3)11(12)7-9;1-7(2)9-5-4-8(3)10(11)6-9/h9-13H,6-8H2,1-5H3;4-6,9,13H,7-8H2,1-3H3;7-11H,6H2,1-5H3;4-6,9H,7-8H2,1-3H3;5-7,9-10H,3-4,8H2,1-2H3;5-8,10-11H,9H2,1-4H3;6-8H,1-5H3;6-9H,5H2,1-4H3;5-8H,4H2,1-3H3;4-7,14H,1-3H3;5-8H,4H2,1-3H3;4-7,11H,1-3H3.

What are the key properties of 2-chloro-1-[2,2-difluoropropoxy(2,2,2-trifluoroethoxy)methyl]-4-propan-2-ylbenzene;2-chloro-1-ethoxy-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-propan-2-ylphenol;4-ethyl-2-fluoro-1-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;1-(3-ethylpentan-3-yl)-4-propan-2-ylbenzene;2-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethoxymethyl)benzene;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene?

2-chloro-1-[2,2-difluoropropoxy(2,2,2-trifluoroethoxy)methyl]-4-propan-2-ylbenzene;2-chloro-1-ethoxy-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-propan-2-ylphenol;4-ethyl-2-fluoro-1-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;1-(3-ethylpentan-3-yl)-4-propan-2-ylbenzene;2-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethoxymethyl)benzene;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene has a molecular weight of 2520.31 g/mol, XLogP of 47.60, 39 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-[2,2-difluoropropoxy(2,2,2-trifluoroethoxy)methyl]-4-propan-2-ylbenzene;2-chloro-1-ethoxy-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-propan-2-ylphenol;4-ethyl-2-fluoro-1-propan-2-ylbenzene;4-ethyl-2-methyl-1-propan-2-ylbenzene;1-(3-ethylpentan-3-yl)-4-propan-2-ylbenzene;2-methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethoxymethyl)benzene;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene is sourced from PubChem (CID 158872176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).