2,2,2-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]acetamide

C15H14F3NO2 — CID 11779359

IUPAC2,2,2-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2ccccc2c1CCNC(=O)C(F)(F)F
InChIInChI=1S/C15H14F3NO2/c1-21-13-7-6-10-4-2-3-5-11(10)12(13)8-9-19-14(20)15(16,17)18/h2-7H,8-9H2,1H3,(H,19,20)
InChIKeyCEXZFTGEZOJWOK-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.07
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]acetamide (PubChem CID 11779359) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]acetamide
PubChem CID11779359
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2,2,2-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2ccccc2c1CCNC(=O)C(F)(F)F
InChIInChI=1S/C15H14F3NO2/c1-21-13-7-6-10-4-2-3-5-11(10)12(13)8-9-19-14(20)15(16,17)18/h2-7H,8-9H2,1H3,(H,19,20)
InChIKeyCEXZFTGEZOJWOK-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4,4,4-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]butan-2-amine
CID 95130442
3,3,3-trifluoro-N-[(2-methoxynaphthalen-1-yl)methyl]propan-1-amine
CID 63226555
N-[2-[3-(benzylamino)-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide
CID 21282392
2,2,2-trifluoro-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 2063074
N-[2-(2-methoxynaphthalen-1-yl)ethyl]-1-methylpiperidine-2-carboxamide
CID 74231876
N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-methylpropan-1-amine
CID 64867903
2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide
CID 19963458
1-ethyl-N-[2-(2-methoxynaphthalen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 72913290
2,2,2-trifluoro-N-[2-hydroxy-1-(2-methoxynaphthalen-1-yl)-2-methylpropyl]acetamide
CID 23091176
2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934760
(2S)-1-methoxy-N-[2-(2-methoxynaphthalen-1-yl)ethyl]propan-2-amine
CID 95127622
(2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119709365

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]acetamide (CID 11779359) is 2,2,2-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]acetamide is COc1ccc2ccccc2c1CCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]acetamide?
The InChIKey is CEXZFTGEZOJWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-21-13-7-6-10-4-2-3-5-11(10)12(13)8-9-19-14(20)15(16,17)18/h2-7H,8-9H2,1H3,(H,19,20).
What are the key properties of 2,2,2-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]acetamide has a molecular weight of 297.28 g/mol, XLogP of 3.07, 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-(2-methoxynaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 11779359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).