2,2,2-trifluoro-N-[2-(7-propyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide

C17H22F3NO — CID 22879764

IUPAC2,2,2-trifluoro-N-[2-(7-propyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
SMILESCCCc1ccc2c(c1)C(CCNC(=O)C(F)(F)F)CCC2
InChIInChI=1S/C17H22F3NO/c1-2-4-12-7-8-13-5-3-6-14(15(13)11-12)9-10-21-16(22)17(18,19)20/h7-8,11,14H,2-6,9-10H2,1H3,(H,21,22)
InChIKeyYADVOVISEANJAO-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.13
Rot. Bonds5

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

2,2,2-trifluoro-N-[2-(7-propyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide (PubChem CID 22879764) has the molecular formula C17H22F3NO and a molecular weight of 313.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(7-propyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(7-propyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
PubChem CID22879764
Molecular FormulaC17H22F3NO
Molecular Weight313.36 g/mol
Exact Mass313.17
IUPAC Name2,2,2-trifluoro-N-[2-(7-propyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
SMILESCCCc1ccc2c(c1)C(CCNC(=O)C(F)(F)F)CCC2
InChIInChI=1S/C17H22F3NO/c1-2-4-12-7-8-13-5-3-6-14(15(13)11-12)9-10-21-16(22)17(18,19)20/h7-8,11,14H,2-6,9-10H2,1H3,(H,21,22)
InChIKeyYADVOVISEANJAO-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(7-propyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(7-propyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide (CID 22879764) is 2,2,2-trifluoro-N-[2-(7-propyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(7-propyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(7-propyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide is CCCc1ccc2c(c1)C(CCNC(=O)C(F)(F)F)CCC2.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(7-propyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide?
The InChIKey is YADVOVISEANJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO/c1-2-4-12-7-8-13-5-3-6-14(15(13)11-12)9-10-21-16(22)17(18,19)20/h7-8,11,14H,2-6,9-10H2,1H3,(H,21,22).
What are the key properties of 2,2,2-trifluoro-N-[2-(7-propyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(7-propyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide has a molecular weight of 313.36 g/mol, XLogP of 4.13, 5 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-[2-(7-propyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 22879764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).