1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyridine;1-chloro-2-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-5-propan-2-ylpyridine;propane

C110H165Cl6F15N2O — CID 158576955

About 1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyridine;1-chloro-2-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-5-propan-2-ylpyridine;propane

1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyridine;1-chloro-2-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-5-propan-2-ylpyridine;propane (PubChem CID 158576955) has the molecular formula C110H165Cl6F15N2O and a molecular weight of 2029.23 g/mol. Its IUPAC name is 1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyridine;1-chloro-2-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-5-propan-2-ylpyridine;propane.

Molecular Properties

• Compound Name: 1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyridine;1-chloro-2-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-5-propan-2-ylpyridine;propane
• PubChem CID: 158576955
• Molecular Formula: C110H165Cl6F15N2O
• Molecular Weight: 2029.23 g/mol
• Exact Mass: 2025.08
• IUPAC Name: 1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyridine;1-chloro-2-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-5-propan-2-ylpyridine;propane
• SMILES: CC(C)c1cc(C(F)(F)F)ccc1Cl.CC(C)c1cc(C(F)(F)F)ccc1F.CC(C)c1cc(Cl)ccc1Cl.CC(C)c1cc(Cl)ccc1F.CC(C)c1cc(F)ccc1Cl.CC(C)c1cc(F)ccc1F.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc(F)c(C(F)(F)F)c1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.COc1ccc(C(C)C)cn1
• InChI: InChI=1S/C10H10ClF3.2C10H10F4.C9H10Cl2.2C9H10ClF.C9H10F2.C9H13NO.C8H10ClN.9C3H8/c2*1-6(2)8-5-7(10(12,13)14)3-4-9(8)11;1-6(2)7-3-4-9(11)8(5-7)10(12,13)14;1-6(2)8-5-7(10)3-4-9(8)11;1-6(2)8-5-7(11)3-4-9(8)10;2*1-6(2)8-5-7(10)3-4-9(8)11;1-7(2)8-4-5-9(11-3)10-6-8;1-6(2)7-3-4-8(9)10-5-7;9*1-3-2/h3*3-6H,1-2H3;4*3-6H,1-2H3;4-7H,1-3H3;3-6H,1-2H3;9*3H2,1-2H3
• InChIKey: HSTXHEWSBCSEPF-UHFFFAOYSA-N
• XLogP: 44.65
• TPSA: 35.01 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2029.23
LogP ≤ 5	44.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyridine;1-chloro-2-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-5-propan-2-ylpyridine;propane?

The IUPAC name of 1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyridine;1-chloro-2-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-5-propan-2-ylpyridine;propane (CID 158576955) is 1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyridine;1-chloro-2-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-5-propan-2-ylpyridine;propane.

What is the SMILES notation for 1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyridine;1-chloro-2-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-5-propan-2-ylpyridine;propane?

The canonical SMILES for 1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyridine;1-chloro-2-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-5-propan-2-ylpyridine;propane is CC(C)c1cc(C(F)(F)F)ccc1Cl.CC(C)c1cc(C(F)(F)F)ccc1F.CC(C)c1cc(Cl)ccc1Cl.CC(C)c1cc(Cl)ccc1F.CC(C)c1cc(F)ccc1Cl.CC(C)c1cc(F)ccc1F.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc(F)c(C(F)(F)F)c1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.COc1ccc(C(C)C)cn1.

What is the InChIKey of 1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyridine;1-chloro-2-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-5-propan-2-ylpyridine;propane?

The InChIKey is HSTXHEWSBCSEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3.2C10H10F4.C9H10Cl2.2C9H10ClF.C9H10F2.C9H13NO.C8H10ClN.9C3H8/c2*1-6(2)8-5-7(10(12,13)14)3-4-9(8)11;1-6(2)7-3-4-9(11)8(5-7)10(12,13)14;1-6(2)8-5-7(10)3-4-9(8)11;1-6(2)8-5-7(11)3-4-9(8)10;2*1-6(2)8-5-7(10)3-4-9(8)11;1-7(2)8-4-5-9(11-3)10-6-8;1-6(2)7-3-4-8(9)10-5-7;9*1-3-2/h3*3-6H,1-2H3;4*3-6H,1-2H3;4-7H,1-3H3;3-6H,1-2H3;9*3H2,1-2H3.

What are the key properties of 1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyridine;1-chloro-2-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-5-propan-2-ylpyridine;propane?

1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyridine;1-chloro-2-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-5-propan-2-ylpyridine;propane has a molecular weight of 2029.23 g/mol, XLogP of 44.65, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyridine;1-chloro-2-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-5-propan-2-ylpyridine;propane is sourced from PubChem (CID 158576955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).