3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(3,4,5-trimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide

C25H25F6NO — CID 134225319

IUPAC3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(3,4,5-trimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESCc1cc(C(/C=C/c2ccc3c(c2)CCC3NC(=O)CC(F)(F)F)C(F)(F)F)cc(C)c1C
InChIInChI=1S/C25H25F6NO/c1-14-10-19(11-15(2)16(14)3)21(25(29,30)31)8-5-17-4-7-20-18(12-17)6-9-22(20)32-23(33)13-24(26,27)28/h4-5,7-8,10-12,21-22H,6,9,13H2,1-3H3,(H,32,33)/b8-5+
InChIKeyXGMTXTOSGQSWJI-VMPITWQZSA-N
MW469.47 g/mol
LogP7.03
Rot. Bonds5

About 3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(3,4,5-trimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide

3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(3,4,5-trimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide (PubChem CID 134225319) has the molecular formula C25H25F6NO and a molecular weight of 469.47 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(3,4,5-trimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(3,4,5-trimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide
PubChem CID134225319
Molecular FormulaC25H25F6NO
Molecular Weight469.47 g/mol
Exact Mass469.18
IUPAC Name3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(3,4,5-trimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESCc1cc(C(/C=C/c2ccc3c(c2)CCC3NC(=O)CC(F)(F)F)C(F)(F)F)cc(C)c1C
InChIInChI=1S/C25H25F6NO/c1-14-10-19(11-15(2)16(14)3)21(25(29,30)31)8-5-17-4-7-20-18(12-17)6-9-22(20)32-23(33)13-24(26,27)28/h4-5,7-8,10-12,21-22H,6,9,13H2,1-3H3,(H,32,33)/b8-5+
InChIKeyXGMTXTOSGQSWJI-VMPITWQZSA-N
XLogP7.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.47
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(3,4,5-trimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(3,4,5-trimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(3,4,5-trimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide (CID 134225319) is 3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(3,4,5-trimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(3,4,5-trimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(3,4,5-trimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide is Cc1cc(C(/C=C/c2ccc3c(c2)CCC3NC(=O)CC(F)(F)F)C(F)(F)F)cc(C)c1C.
What is the InChIKey of 3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(3,4,5-trimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide?
The InChIKey is XGMTXTOSGQSWJI-VMPITWQZSA-N. The full InChI is InChI=1S/C25H25F6NO/c1-14-10-19(11-15(2)16(14)3)21(25(29,30)31)8-5-17-4-7-20-18(12-17)6-9-22(20)32-23(33)13-24(26,27)28/h4-5,7-8,10-12,21-22H,6,9,13H2,1-3H3,(H,32,33)/b8-5+.
What are the key properties of 3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(3,4,5-trimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide?
3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(3,4,5-trimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide has a molecular weight of 469.47 g/mol, XLogP of 7.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(3,4,5-trimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide is sourced from PubChem (CID 134225319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).