2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone

C13H9F3O2 — CID 24726833

IUPAC2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone
SMILESCOc1ccc2cc(C(=O)C(F)(F)F)ccc2c1
InChIInChI=1S/C13H9F3O2/c1-18-11-5-4-8-6-10(3-2-9(8)7-11)12(17)13(14,15)16/h2-7H,1H3
InChIKeyDGUJNJQFAWNYEY-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.59
Rot. Bonds2

About 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone

2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone (PubChem CID 24726833) has the molecular formula C13H9F3O2 and a molecular weight of 254.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone
PubChem CID24726833
Molecular FormulaC13H9F3O2
Molecular Weight254.21 g/mol
Exact Mass254.06
IUPAC Name2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone
SMILESCOc1ccc2cc(C(=O)C(F)(F)F)ccc2c1
InChIInChI=1S/C13H9F3O2/c1-18-11-5-4-8-6-10(3-2-9(8)7-11)12(17)13(14,15)16/h2-7H,1H3
InChIKeyDGUJNJQFAWNYEY-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,3,3,3-pentafluoro-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 103750502
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethanone
CID 2758493
2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 176890348
3-(6-methoxynaphthalen-2-yl)but-3-en-2-one
CID 142826310
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
(Z)-3-(6-methoxynaphthalen-2-yl)but-2-enal
CID 42611332
(6-methoxynaphthalen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66477818
1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione
CID 10793824
6-methoxy-N-methylnaphthalene-2-carbohydrazide
CID 116845699
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride
CID 141138578
(Z)-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpent-3-enoic acid
CID 21354869

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone (CID 24726833) is 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone is COc1ccc2cc(C(=O)C(F)(F)F)ccc2c1.
What is the InChIKey of 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone?
The InChIKey is DGUJNJQFAWNYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O2/c1-18-11-5-4-8-6-10(3-2-9(8)7-11)12(17)13(14,15)16/h2-7H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone?
2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone has a molecular weight of 254.21 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone is sourced from PubChem (CID 24726833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).