2,2,2-trifluoro-N-[4-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]phenyl]acetamide

C25H28F3NO — CID 59963145

IUPAC2,2,2-trifluoro-N-[4-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]phenyl]acetamide
SMILESC/C(=C/c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C25H28F3NO/c1-16(18-7-9-19(10-8-18)29-22(30)25(26,27)28)14-17-6-11-20-21(15-17)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,29,30)/b16-14-
InChIKeyBCTBMZDEHDIQDE-PEZBUJJGSA-N
MW415.50 g/mol
LogP7.10
Rot. Bonds3

About 2,2,2-trifluoro-N-[4-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]phenyl]acetamide

2,2,2-trifluoro-N-[4-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]phenyl]acetamide (PubChem CID 59963145) has the molecular formula C25H28F3NO and a molecular weight of 415.50 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]phenyl]acetamide
PubChem CID59963145
Molecular FormulaC25H28F3NO
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name2,2,2-trifluoro-N-[4-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]phenyl]acetamide
SMILESC/C(=C/c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C25H28F3NO/c1-16(18-7-9-19(10-8-18)29-22(30)25(26,27)28)14-17-6-11-20-21(15-17)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,29,30)/b16-14-
InChIKeyBCTBMZDEHDIQDE-PEZBUJJGSA-N
XLogP7.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]phenyl]acetamide (CID 59963145) is 2,2,2-trifluoro-N-[4-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]phenyl]acetamide is C/C(=C/c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]phenyl]acetamide?
The InChIKey is BCTBMZDEHDIQDE-PEZBUJJGSA-N. The full InChI is InChI=1S/C25H28F3NO/c1-16(18-7-9-19(10-8-18)29-22(30)25(26,27)28)14-17-6-11-20-21(15-17)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,29,30)/b16-14-.
What are the key properties of 2,2,2-trifluoro-N-[4-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]phenyl]acetamide?
2,2,2-trifluoro-N-[4-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]phenyl]acetamide has a molecular weight of 415.50 g/mol, XLogP of 7.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]phenyl]acetamide is sourced from PubChem (CID 59963145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).