4-[(Z)-1,4,4,4-tetrafluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]but-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide

C24H17F14NO3S — CID 130237422

IUPAC4-[(Z)-1,4,4,4-tetrafluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]but-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide
SMILESCC(CS(=O)(=O)CC(F)(F)F)NC(=O)c1ccc(/C(F)=C/C(c2ccc(F)c(C(F)(F)F)c2)C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C24H17F14NO3S/c1-11(9-43(41,42)10-21(27,28)29)39-20(40)14-4-2-13(7-16(14)23(33,34)35)19(26)8-15(22(30,31)32)12-3-5-18(25)17(6-12)24(36,37)38/h2-8,11,15H,9-10H2,1H3,(H,39,40)/b19-8-
InChIKeyNIMGWOOZGZFEOM-UWVJOHFNSA-N
MW665.44 g/mol
LogP7.62
Rot. Bonds8

About 4-[(Z)-1,4,4,4-tetrafluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]but-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide

4-[(Z)-1,4,4,4-tetrafluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]but-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide (PubChem CID 130237422) has the molecular formula C24H17F14NO3S and a molecular weight of 665.44 g/mol. Its IUPAC name is 4-[(Z)-1,4,4,4-tetrafluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]but-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-[(Z)-1,4,4,4-tetrafluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]but-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide
PubChem CID130237422
Molecular FormulaC24H17F14NO3S
Molecular Weight665.44 g/mol
Exact Mass665.07
IUPAC Name4-[(Z)-1,4,4,4-tetrafluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]but-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide
SMILESCC(CS(=O)(=O)CC(F)(F)F)NC(=O)c1ccc(/C(F)=C/C(c2ccc(F)c(C(F)(F)F)c2)C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C24H17F14NO3S/c1-11(9-43(41,42)10-21(27,28)29)39-20(40)14-4-2-13(7-16(14)23(33,34)35)19(26)8-15(22(30,31)32)12-3-5-18(25)17(6-12)24(36,37)38/h2-8,11,15H,9-10H2,1H3,(H,39,40)/b19-8-
InChIKeyNIMGWOOZGZFEOM-UWVJOHFNSA-N
XLogP7.62
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.44
LogP ≤ 57.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(Z)-1,4,4,4-tetrafluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]but-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1,4,4,4-tetrafluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]but-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-[(Z)-1,4,4,4-tetrafluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]but-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide (CID 130237422) is 4-[(Z)-1,4,4,4-tetrafluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]but-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-[(Z)-1,4,4,4-tetrafluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]but-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-[(Z)-1,4,4,4-tetrafluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]but-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(F)c(C(F)(F)F)c2)C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 4-[(Z)-1,4,4,4-tetrafluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]but-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is NIMGWOOZGZFEOM-UWVJOHFNSA-N. The full InChI is InChI=1S/C24H17F14NO3S/c1-11(9-43(41,42)10-21(27,28)29)39-20(40)14-4-2-13(7-16(14)23(33,34)35)19(26)8-15(22(30,31)32)12-3-5-18(25)17(6-12)24(36,37)38/h2-8,11,15H,9-10H2,1H3,(H,39,40)/b19-8-.
What are the key properties of 4-[(Z)-1,4,4,4-tetrafluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]but-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide?
4-[(Z)-1,4,4,4-tetrafluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]but-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 665.44 g/mol, XLogP of 7.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1,4,4,4-tetrafluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]but-1-enyl]-N-[1-(2,2,2-trifluoroethylsulfonyl)propan-2-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 130237422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).