2-chloro-1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(cyclobutylmethoxy)-2-methoxy-4-propan-2-ylbenzene;bis(1-[(3,3-difluorocyclobutyl)methoxy]-2-methyl-4-propan-2-ylbenzene);1-[(3-fluorocyclobutyl)methoxy]-2-methoxy-4-propan-2-ylbenzene;1-[2-(2-fluoro-2-methylcyclopropyl)ethoxy]-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-propan-2-yloxybenzene

C100H138ClF9O10 — CID 158503406

About 2-chloro-1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(cyclobutylmethoxy)-2-methoxy-4-propan-2-ylbenzene;bis(1-[(3,3-difluorocyclobutyl)methoxy]-2-methyl-4-propan-2-ylbenzene);1-[(3-fluorocyclobutyl)methoxy]-2-methoxy-4-propan-2-ylbenzene;1-[2-(2-fluoro-2-methylcyclopropyl)ethoxy]-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-propan-2-yloxybenzene

2-chloro-1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(cyclobutylmethoxy)-2-methoxy-4-propan-2-ylbenzene;bis(1-[(3,3-difluorocyclobutyl)methoxy]-2-methyl-4-propan-2-ylbenzene);1-[(3-fluorocyclobutyl)methoxy]-2-methoxy-4-propan-2-ylbenzene;1-[2-(2-fluoro-2-methylcyclopropyl)ethoxy]-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-propan-2-yloxybenzene (PubChem CID 158503406) has the molecular formula C100H138ClF9O10 and a molecular weight of 1706.63 g/mol. Its IUPAC name is 2-chloro-1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(cyclobutylmethoxy)-2-methoxy-4-propan-2-ylbenzene;bis(1-[(3,3-difluorocyclobutyl)methoxy]-2-methyl-4-propan-2-ylbenzene);1-[(3-fluorocyclobutyl)methoxy]-2-methoxy-4-propan-2-ylbenzene;1-[2-(2-fluoro-2-methylcyclopropyl)ethoxy]-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-propan-2-yloxybenzene.

Molecular Properties

• Compound Name: 2-chloro-1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(cyclobutylmethoxy)-2-methoxy-4-propan-2-ylbenzene;bis(1-[(3,3-difluorocyclobutyl)methoxy]-2-methyl-4-propan-2-ylbenzene);1-[(3-fluorocyclobutyl)methoxy]-2-methoxy-4-propan-2-ylbenzene;1-[2-(2-fluoro-2-methylcyclopropyl)ethoxy]-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-propan-2-yloxybenzene
• PubChem CID: 158503406
• Molecular Formula: C100H138ClF9O10
• Molecular Weight: 1706.63 g/mol
• Exact Mass: 1704.98
• IUPAC Name: 2-chloro-1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(cyclobutylmethoxy)-2-methoxy-4-propan-2-ylbenzene;bis(1-[(3,3-difluorocyclobutyl)methoxy]-2-methyl-4-propan-2-ylbenzene);1-[(3-fluorocyclobutyl)methoxy]-2-methoxy-4-propan-2-ylbenzene;1-[2-(2-fluoro-2-methylcyclopropyl)ethoxy]-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-propan-2-yloxybenzene
• SMILES: CC(C)Oc1ccc(C(C)C)c(F)c1.CC(C)c1ccc(OCC(C)(F)F)c(Cl)c1.COc1cc(C(C)C)ccc1OCC1CC(F)C1.COc1cc(C(C)C)ccc1OCC1CCC1.COc1cc(C(C)C)ccc1OCCC1CC1(C)F.Cc1cc(C(C)C)ccc1OCC1CC(F)(F)C1.Cc1cc(C(C)C)ccc1OCC1CC(F)(F)C1
• InChI: InChI=1S/C16H23FO2.2C15H20F2O.C15H21FO2.C15H22O2.C12H15ClF2O.C12H17FO/c1-11(2)12-5-6-14(15(9-12)18-4)19-8-7-13-10-16(13,3)17;2*1-10(2)13-4-5-14(11(3)6-13)18-9-12-7-15(16,17)8-12;1-10(2)12-4-5-14(15(8-12)17-3)18-9-11-6-13(16)7-11;1-11(2)13-7-8-14(15(9-13)16-3)17-10-12-5-4-6-12;1-8(2)9-4-5-11(10(13)6-9)16-7-12(3,14)15;1-8(2)11-6-5-10(7-12(11)13)14-9(3)4/h5-6,9,11,13H,7-8,10H2,1-4H3;2*4-6,10,12H,7-9H2,1-3H3;4-5,8,10-11,13H,6-7,9H2,1-3H3;7-9,11-12H,4-6,10H2,1-3H3;4-6,8H,7H2,1-3H3;5-9H,1-4H3
• InChIKey: HKEHHWWZZNXDFZ-UHFFFAOYSA-N
• XLogP: 29.60
• TPSA: 92.30 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 31
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1706.63
LogP ≤ 5	29.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(cyclobutylmethoxy)-2-methoxy-4-propan-2-ylbenzene;bis(1-[(3,3-difluorocyclobutyl)methoxy]-2-methyl-4-propan-2-ylbenzene);1-[(3-fluorocyclobutyl)methoxy]-2-methoxy-4-propan-2-ylbenzene;1-[2-(2-fluoro-2-methylcyclopropyl)ethoxy]-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-propan-2-yloxybenzene?

The IUPAC name of 2-chloro-1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(cyclobutylmethoxy)-2-methoxy-4-propan-2-ylbenzene;bis(1-[(3,3-difluorocyclobutyl)methoxy]-2-methyl-4-propan-2-ylbenzene);1-[(3-fluorocyclobutyl)methoxy]-2-methoxy-4-propan-2-ylbenzene;1-[2-(2-fluoro-2-methylcyclopropyl)ethoxy]-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-propan-2-yloxybenzene (CID 158503406) is 2-chloro-1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(cyclobutylmethoxy)-2-methoxy-4-propan-2-ylbenzene;bis(1-[(3,3-difluorocyclobutyl)methoxy]-2-methyl-4-propan-2-ylbenzene);1-[(3-fluorocyclobutyl)methoxy]-2-methoxy-4-propan-2-ylbenzene;1-[2-(2-fluoro-2-methylcyclopropyl)ethoxy]-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-propan-2-yloxybenzene.

What is the SMILES notation for 2-chloro-1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(cyclobutylmethoxy)-2-methoxy-4-propan-2-ylbenzene;bis(1-[(3,3-difluorocyclobutyl)methoxy]-2-methyl-4-propan-2-ylbenzene);1-[(3-fluorocyclobutyl)methoxy]-2-methoxy-4-propan-2-ylbenzene;1-[2-(2-fluoro-2-methylcyclopropyl)ethoxy]-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-propan-2-yloxybenzene?

The canonical SMILES for 2-chloro-1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(cyclobutylmethoxy)-2-methoxy-4-propan-2-ylbenzene;bis(1-[(3,3-difluorocyclobutyl)methoxy]-2-methyl-4-propan-2-ylbenzene);1-[(3-fluorocyclobutyl)methoxy]-2-methoxy-4-propan-2-ylbenzene;1-[2-(2-fluoro-2-methylcyclopropyl)ethoxy]-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-propan-2-yloxybenzene is CC(C)Oc1ccc(C(C)C)c(F)c1.CC(C)c1ccc(OCC(C)(F)F)c(Cl)c1.COc1cc(C(C)C)ccc1OCC1CC(F)C1.COc1cc(C(C)C)ccc1OCC1CCC1.COc1cc(C(C)C)ccc1OCCC1CC1(C)F.Cc1cc(C(C)C)ccc1OCC1CC(F)(F)C1.Cc1cc(C(C)C)ccc1OCC1CC(F)(F)C1.

What is the InChIKey of 2-chloro-1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(cyclobutylmethoxy)-2-methoxy-4-propan-2-ylbenzene;bis(1-[(3,3-difluorocyclobutyl)methoxy]-2-methyl-4-propan-2-ylbenzene);1-[(3-fluorocyclobutyl)methoxy]-2-methoxy-4-propan-2-ylbenzene;1-[2-(2-fluoro-2-methylcyclopropyl)ethoxy]-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-propan-2-yloxybenzene?

The InChIKey is HKEHHWWZZNXDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO2.2C15H20F2O.C15H21FO2.C15H22O2.C12H15ClF2O.C12H17FO/c1-11(2)12-5-6-14(15(9-12)18-4)19-8-7-13-10-16(13,3)17;2*1-10(2)13-4-5-14(11(3)6-13)18-9-12-7-15(16,17)8-12;1-10(2)12-4-5-14(15(8-12)17-3)18-9-11-6-13(16)7-11;1-11(2)13-7-8-14(15(9-13)16-3)17-10-12-5-4-6-12;1-8(2)9-4-5-11(10(13)6-9)16-7-12(3,14)15;1-8(2)11-6-5-10(7-12(11)13)14-9(3)4/h5-6,9,11,13H,7-8,10H2,1-4H3;2*4-6,10,12H,7-9H2,1-3H3;4-5,8,10-11,13H,6-7,9H2,1-3H3;7-9,11-12H,4-6,10H2,1-3H3;4-6,8H,7H2,1-3H3;5-9H,1-4H3.

What are the key properties of 2-chloro-1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(cyclobutylmethoxy)-2-methoxy-4-propan-2-ylbenzene;bis(1-[(3,3-difluorocyclobutyl)methoxy]-2-methyl-4-propan-2-ylbenzene);1-[(3-fluorocyclobutyl)methoxy]-2-methoxy-4-propan-2-ylbenzene;1-[2-(2-fluoro-2-methylcyclopropyl)ethoxy]-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-propan-2-yloxybenzene?

2-chloro-1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(cyclobutylmethoxy)-2-methoxy-4-propan-2-ylbenzene;bis(1-[(3,3-difluorocyclobutyl)methoxy]-2-methyl-4-propan-2-ylbenzene);1-[(3-fluorocyclobutyl)methoxy]-2-methoxy-4-propan-2-ylbenzene;1-[2-(2-fluoro-2-methylcyclopropyl)ethoxy]-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-propan-2-yloxybenzene has a molecular weight of 1706.63 g/mol, XLogP of 29.60, 31 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(cyclobutylmethoxy)-2-methoxy-4-propan-2-ylbenzene;bis(1-[(3,3-difluorocyclobutyl)methoxy]-2-methyl-4-propan-2-ylbenzene);1-[(3-fluorocyclobutyl)methoxy]-2-methoxy-4-propan-2-ylbenzene;1-[2-(2-fluoro-2-methylcyclopropyl)ethoxy]-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-propan-2-yloxybenzene is sourced from PubChem (CID 158503406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).