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

C16H20F3NO — CID 21469676

IUPACN-[2-(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESCCc1ccc2c(c1)C(CCNC(=O)C(F)(F)F)CCC2
InChIInChI=1S/C16H20F3NO/c1-2-11-6-7-12-4-3-5-13(14(12)10-11)8-9-20-15(21)16(17,18)19/h6-7,10,13H,2-5,8-9H2,1H3,(H,20,21)
InChIKeyJFXQEUDWGJKZNK-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.74
Rot. Bonds4

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

N-[2-(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 21469676) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is N-[2-(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID21469676
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC NameN-[2-(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESCCc1ccc2c(c1)C(CCNC(=O)C(F)(F)F)CCC2
InChIInChI=1S/C16H20F3NO/c1-2-11-6-7-12-4-3-5-13(14(12)10-11)8-9-20-15(21)16(17,18)19/h6-7,10,13H,2-5,8-9H2,1H3,(H,20,21)
InChIKeyJFXQEUDWGJKZNK-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4P-Pdot
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S 20928
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N-(3,3-diphenylpropyl)acetamide
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N-[[(1R,2R)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]propanamide
CID 137637541
N-[[(1S,2R)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]propanamide
CID 137648419
N-[2-[7-[8-(2-acetamidoethyl)naphthalen-2-yl]naphthalen-1-yl]ethyl]acetamide
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CID 9990794

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide (CID 21469676) is N-[2-(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide is CCc1ccc2c(c1)C(CCNC(=O)C(F)(F)F)CCC2.
What is the InChIKey of N-[2-(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is JFXQEUDWGJKZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-2-11-6-7-12-4-3-5-13(14(12)10-11)8-9-20-15(21)16(17,18)19/h6-7,10,13H,2-5,8-9H2,1H3,(H,20,21).
What are the key properties of N-[2-(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 299.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 21469676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).