N-[2-(7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide

C18H24F3NO — CID 22879749

IUPACN-[2-(7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESCCCCc1ccc2c(c1)C(CCNC(=O)C(F)(F)F)CCC2
InChIInChI=1S/C18H24F3NO/c1-2-3-5-13-8-9-14-6-4-7-15(16(14)12-13)10-11-22-17(23)18(19,20)21/h8-9,12,15H,2-7,10-11H2,1H3,(H,22,23)
InChIKeyVBNJGOFKIZAAEH-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.52
Rot. Bonds6

About N-[2-(7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide

N-[2-(7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 22879749) has the molecular formula C18H24F3NO and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[2-(7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID22879749
Molecular FormulaC18H24F3NO
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC NameN-[2-(7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESCCCCc1ccc2c(c1)C(CCNC(=O)C(F)(F)F)CCC2
InChIInChI=1S/C18H24F3NO/c1-2-3-5-13-8-9-14-6-4-7-15(16(14)12-13)10-11-22-17(23)18(19,20)21/h8-9,12,15H,2-7,10-11H2,1H3,(H,22,23)
InChIKeyVBNJGOFKIZAAEH-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide (CID 22879749) is N-[2-(7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide is CCCCc1ccc2c(c1)C(CCNC(=O)C(F)(F)F)CCC2.
What is the InChIKey of N-[2-(7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is VBNJGOFKIZAAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3NO/c1-2-3-5-13-8-9-14-6-4-7-15(16(14)12-13)10-11-22-17(23)18(19,20)21/h8-9,12,15H,2-7,10-11H2,1H3,(H,22,23).
What are the key properties of N-[2-(7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 327.39 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 22879749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).