4-cyclohexyl-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide

C25H26F7NO2 — CID 130261824

About 4-cyclohexyl-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide

4-cyclohexyl-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide (PubChem CID 130261824) has the molecular formula C25H26F7NO2 and a molecular weight of 505.47 g/mol. Its IUPAC name is 4-cyclohexyl-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide.

Molecular Properties

• Compound Name: 4-cyclohexyl-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide
• PubChem CID: 130261824
• Molecular Formula: C25H26F7NO2
• Molecular Weight: 505.47 g/mol
• Exact Mass: 505.19
• IUPAC Name: 4-cyclohexyl-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide
• SMILES: O=C(CCCC1CCCCC1)Nc1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2F)cc1
• InChI: InChI=1S/C25H26F7NO2/c26-21-15-18(23(35,24(27,28)29)25(30,31)32)11-14-20(21)17-9-12-19(13-10-17)33-22(34)8-4-7-16-5-2-1-3-6-16/h9-16,35H,1-8H2,(H,33,34)
• InChIKey: OEMDEFBVFQUEJW-UHFFFAOYSA-N
• XLogP: 7.49
• TPSA: 49.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.47
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide?

The IUPAC name of 4-cyclohexyl-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide (CID 130261824) is 4-cyclohexyl-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide.

What is the SMILES notation for 4-cyclohexyl-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide?

The canonical SMILES for 4-cyclohexyl-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide is O=C(CCCC1CCCCC1)Nc1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2F)cc1.

What is the InChIKey of 4-cyclohexyl-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide?

The InChIKey is OEMDEFBVFQUEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F7NO2/c26-21-15-18(23(35,24(27,28)29)25(30,31)32)11-14-20(21)17-9-12-19(13-10-17)33-22(34)8-4-7-16-5-2-1-3-6-16/h9-16,35H,1-8H2,(H,33,34).

What are the key properties of 4-cyclohexyl-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide?

4-cyclohexyl-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide has a molecular weight of 505.47 g/mol, XLogP of 7.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclohexyl-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]butanamide is sourced from PubChem (CID 130261824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).