1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-[4-(methoxymethoxy)cyclohexyl]cyclohexyl]ethyl]benzene

C25H34F6O3 — CID 22080262

About 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-[4-(methoxymethoxy)cyclohexyl]cyclohexyl]ethyl]benzene

1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-[4-(methoxymethoxy)cyclohexyl]cyclohexyl]ethyl]benzene (PubChem CID 22080262) has the molecular formula C25H34F6O3 and a molecular weight of 496.53 g/mol. Its IUPAC name is 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-[4-(methoxymethoxy)cyclohexyl]cyclohexyl]ethyl]benzene.

Molecular Properties

• Compound Name: 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-[4-(methoxymethoxy)cyclohexyl]cyclohexyl]ethyl]benzene
• PubChem CID: 22080262
• Molecular Formula: C25H34F6O3
• Molecular Weight: 496.53 g/mol
• Exact Mass: 496.24
• IUPAC Name: 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-[4-(methoxymethoxy)cyclohexyl]cyclohexyl]ethyl]benzene
• SMILES: COCOC1CCC(C2CCC(CCc3ccc(OC(F)(F)C(F)C(F)(F)F)cc3)CC2)CC1
• InChI: InChI=1S/C25H34F6O3/c1-32-16-33-21-14-10-20(11-15-21)19-8-4-17(5-9-19)2-3-18-6-12-22(13-7-18)34-25(30,31)23(26)24(27,28)29/h6-7,12-13,17,19-21,23H,2-5,8-11,14-16H2,1H3
• InChIKey: GDNMHFVJUWEGLD-UHFFFAOYSA-N
• XLogP: 7.48
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.53
LogP ≤ 5	7.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-[4-(methoxymethoxy)cyclohexyl]cyclohexyl]ethyl]benzene?

The IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-[4-(methoxymethoxy)cyclohexyl]cyclohexyl]ethyl]benzene (CID 22080262) is 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-[4-(methoxymethoxy)cyclohexyl]cyclohexyl]ethyl]benzene.

What is the SMILES notation for 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-[4-(methoxymethoxy)cyclohexyl]cyclohexyl]ethyl]benzene?

The canonical SMILES for 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-[4-(methoxymethoxy)cyclohexyl]cyclohexyl]ethyl]benzene is COCOC1CCC(C2CCC(CCc3ccc(OC(F)(F)C(F)C(F)(F)F)cc3)CC2)CC1.

What is the InChIKey of 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-[4-(methoxymethoxy)cyclohexyl]cyclohexyl]ethyl]benzene?

The InChIKey is GDNMHFVJUWEGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F6O3/c1-32-16-33-21-14-10-20(11-15-21)19-8-4-17(5-9-19)2-3-18-6-12-22(13-7-18)34-25(30,31)23(26)24(27,28)29/h6-7,12-13,17,19-21,23H,2-5,8-11,14-16H2,1H3.

What are the key properties of 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-[4-(methoxymethoxy)cyclohexyl]cyclohexyl]ethyl]benzene?

1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-[4-(methoxymethoxy)cyclohexyl]cyclohexyl]ethyl]benzene has a molecular weight of 496.53 g/mol, XLogP of 7.48, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-[4-(methoxymethoxy)cyclohexyl]cyclohexyl]ethyl]benzene is sourced from PubChem (CID 22080262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).