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

C15H18F3NO2 — CID 11023001

IUPAC2,2,2-trifluoro-N-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)C(CCNC(=O)C(F)(F)F)CCC2
InChIInChI=1S/C15H18F3NO2/c1-21-12-6-5-10-3-2-4-11(13(10)9-12)7-8-19-14(20)15(16,17)18/h5-6,9,11H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyMFGFWEKQJLGWKW-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.18
Rot. Bonds4

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

2,2,2-trifluoro-N-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide (PubChem CID 11023001) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
PubChem CID11023001
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name2,2,2-trifluoro-N-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)C(CCNC(=O)C(F)(F)F)CCC2
InChIInChI=1S/C15H18F3NO2/c1-21-12-6-5-10-3-2-4-11(13(10)9-12)7-8-19-14(20)15(16,17)18/h5-6,9,11H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyMFGFWEKQJLGWKW-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 82148
CID 82148
CID 3071631
CID 3071631
CID 3071634
CID 3071634
CID 3071636
CID 3071636
CID 3071652
CID 3071652
CID 10750842
CID 10750842
CID 11185529
CID 11185529
CID 53238181
CID 53238181
CID 11779359
CID 11779359
CID 164405
CID 164405
CID 3071630
CID 3071630
CID 3071632
CID 3071632

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide (CID 11023001) is 2,2,2-trifluoro-N-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide is COc1ccc2c(c1)C(CCNC(=O)C(F)(F)F)CCC2.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide?
The InChIKey is MFGFWEKQJLGWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-21-12-6-5-10-3-2-4-11(13(10)9-12)7-8-19-14(20)15(16,17)18/h5-6,9,11H,2-4,7-8H2,1H3,(H,19,20).
What are the key properties of 2,2,2-trifluoro-N-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide has a molecular weight of 301.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 11023001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).