4-[(Z)-3-(4-chloro-3-fluorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide

C23H17ClF11NO3S — CID 130237267

About 4-[(Z)-3-(4-chloro-3-fluorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide

4-[(Z)-3-(4-chloro-3-fluorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide (PubChem CID 130237267) has the molecular formula C23H17ClF11NO3S and a molecular weight of 631.89 g/mol. Its IUPAC name is 4-[(Z)-3-(4-chloro-3-fluorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 4-[(Z)-3-(4-chloro-3-fluorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide
• PubChem CID: 130237267
• Molecular Formula: C23H17ClF11NO3S
• Molecular Weight: 631.89 g/mol
• Exact Mass: 631.04
• IUPAC Name: 4-[(Z)-3-(4-chloro-3-fluorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide
• SMILES: CC(CS(=O)(=O)CC(F)(F)F)NC(=O)c1ccc(/C(F)=C/C(c2ccc(Cl)c(F)c2)C(F)(F)F)cc1C(F)(F)F
• InChI: InChI=1S/C23H17ClF11NO3S/c1-11(9-40(38,39)10-21(27,28)29)36-20(37)14-4-2-13(6-16(14)23(33,34)35)18(25)8-15(22(30,31)32)12-3-5-17(24)19(26)7-12/h2-8,11,15H,9-10H2,1H3,(H,36,37)/b18-8-
• InChIKey: VLZIYBBMBHCOLD-LSCVHKIXSA-N
• XLogP: 7.25
• TPSA: 63.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.89
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-3-(4-chloro-3-fluorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide?

The IUPAC name of 4-[(Z)-3-(4-chloro-3-fluorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide (CID 130237267) is 4-[(Z)-3-(4-chloro-3-fluorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide.

What is the SMILES notation for 4-[(Z)-3-(4-chloro-3-fluorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide?

The canonical SMILES for 4-[(Z)-3-(4-chloro-3-fluorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide is CC(CS(=O)(=O)CC(F)(F)F)NC(=O)c1ccc(/C(F)=C/C(c2ccc(Cl)c(F)c2)C(F)(F)F)cc1C(F)(F)F.

What is the InChIKey of 4-[(Z)-3-(4-chloro-3-fluorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide?

The InChIKey is VLZIYBBMBHCOLD-LSCVHKIXSA-N. The full InChI is InChI=1S/C23H17ClF11NO3S/c1-11(9-40(38,39)10-21(27,28)29)36-20(37)14-4-2-13(6-16(14)23(33,34)35)18(25)8-15(22(30,31)32)12-3-5-17(24)19(26)7-12/h2-8,11,15H,9-10H2,1H3,(H,36,37)/b18-8-.

What are the key properties of 4-[(Z)-3-(4-chloro-3-fluorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide?

4-[(Z)-3-(4-chloro-3-fluorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 631.89 g/mol, XLogP of 7.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(Z)-3-(4-chloro-3-fluorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 130237267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).