1-(4-chloronaphthalen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C14H10ClF3O2 — CID 103206734

IUPAC1-(4-chloronaphthalen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C14H10ClF3O2/c15-12-6-5-11(9-3-1-2-4-10(9)12)13(19)7-20-8-14(16,17)18/h1-6H,7-8H2
InChIKeyNINKILJEHVJBLE-UHFFFAOYSA-N
MW302.68 g/mol
LogP4.25
Rot. Bonds4

About 1-(4-chloronaphthalen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(4-chloronaphthalen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103206734) has the molecular formula C14H10ClF3O2 and a molecular weight of 302.68 g/mol. Its IUPAC name is 1-(4-chloronaphthalen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(4-chloronaphthalen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103206734
Molecular FormulaC14H10ClF3O2
Molecular Weight302.68 g/mol
Exact Mass302.03
IUPAC Name1-(4-chloronaphthalen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C14H10ClF3O2/c15-12-6-5-11(9-3-1-2-4-10(9)12)13(19)7-20-8-14(16,17)18/h1-6H,7-8H2
InChIKeyNINKILJEHVJBLE-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloronaphthalen-1-yl)-2-(2,2,2-trifluoroethoxy)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

1-(4-chloronaphthalen-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103206733
1-(2-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214452
1-(1-benzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799431
2-(2,2,2-trifluoroethoxy)-1-(2,3,4-trimethoxyphenyl)ethanone
CID 103206613
4-(4-chloronaphthalen-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 79597299
1-(3-bromo-2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206851
1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799480
(4-chloronaphthalene-1-carbonyl) 4-chloronaphthalene-1-carboxylate
CID 57061694
1-(3-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 106645011
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone
CID 146009826
1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-one
CID 79601820
1-(4-chloronaphthalen-1-yl)-2,2-difluoroethanone
CID 103513654

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloronaphthalen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(4-chloronaphthalen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 103206734) is 1-(4-chloronaphthalen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(4-chloronaphthalen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(4-chloronaphthalen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 1-(4-chloronaphthalen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is NINKILJEHVJBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O2/c15-12-6-5-11(9-3-1-2-4-10(9)12)13(19)7-20-8-14(16,17)18/h1-6H,7-8H2.
What are the key properties of 1-(4-chloronaphthalen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(4-chloronaphthalen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 302.68 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloronaphthalen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103206734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).