N-(3,3,3-trifluoro-1-methoxy-1-naphthalen-2-ylpropyl)acetamide

C16H16F3NO2 — CID 138966445

IUPACN-(3,3,3-trifluoro-1-methoxy-1-naphthalen-2-ylpropyl)acetamide
SMILESCOC(CC(F)(F)F)(NC(C)=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H16F3NO2/c1-11(21)20-15(22-2,10-16(17,18)19)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyQZZWTCAFJPMDPY-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.73
Rot. Bonds4

About N-(3,3,3-trifluoro-1-methoxy-1-naphthalen-2-ylpropyl)acetamide

N-(3,3,3-trifluoro-1-methoxy-1-naphthalen-2-ylpropyl)acetamide (PubChem CID 138966445) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-1-methoxy-1-naphthalen-2-ylpropyl)acetamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-1-methoxy-1-naphthalen-2-ylpropyl)acetamide
PubChem CID138966445
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC NameN-(3,3,3-trifluoro-1-methoxy-1-naphthalen-2-ylpropyl)acetamide
SMILESCOC(CC(F)(F)F)(NC(C)=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H16F3NO2/c1-11(21)20-15(22-2,10-16(17,18)19)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyQZZWTCAFJPMDPY-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 134843457
alpha-(Trifluoromethyl)-alpha-methoxynaphthalene-2-methanamine
CID 58611148
N-[3,3,3-trifluoro-1-methoxy-1-(3-methylphenyl)propyl]acetamide
CID 134838437
N-[3,3,3-trifluoro-1-methoxy-1-(4-phenylphenyl)propyl]acetamide
CID 134838646
N-[3,3,3-trifluoro-1-methoxy-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
CID 134838892
N-(3,3,3-trifluoro-1-methoxy-1-phenylpropyl)acetamide
CID 134858821
[(1R)-2,2,2-trifluoro-1-naphthalen-1-ylethyl] N-[(1R)-1-phenylethyl]carbamate
CID 134880379
[(1S)-2,2,2-trifluoro-1-naphthalen-1-ylethyl] N-[(1R)-1-phenylethyl]carbamate
CID 134880380
benzyl N-(3,3,3-trifluoro-1-naphthalen-2-ylpropyl)carbamate
CID 164684501
1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-(1-naphthalen-1-ylethyl)carbamate
CID 25166902
N-[2-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)naphthalen-1-yl]acetamide
CID 57501805
(R)-(5-(2,2,2-trifluoroacetamido)-5,6,7,8-tetrahydronaphthalen-2-yl)methyl acetate
CID 58597310

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-1-methoxy-1-naphthalen-2-ylpropyl)acetamide?
The IUPAC name of N-(3,3,3-trifluoro-1-methoxy-1-naphthalen-2-ylpropyl)acetamide (CID 138966445) is N-(3,3,3-trifluoro-1-methoxy-1-naphthalen-2-ylpropyl)acetamide.
What is the SMILES notation for N-(3,3,3-trifluoro-1-methoxy-1-naphthalen-2-ylpropyl)acetamide?
The canonical SMILES for N-(3,3,3-trifluoro-1-methoxy-1-naphthalen-2-ylpropyl)acetamide is COC(CC(F)(F)F)(NC(C)=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(3,3,3-trifluoro-1-methoxy-1-naphthalen-2-ylpropyl)acetamide?
The InChIKey is QZZWTCAFJPMDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2/c1-11(21)20-15(22-2,10-16(17,18)19)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,10H2,1-2H3,(H,20,21).
What are the key properties of N-(3,3,3-trifluoro-1-methoxy-1-naphthalen-2-ylpropyl)acetamide?
N-(3,3,3-trifluoro-1-methoxy-1-naphthalen-2-ylpropyl)acetamide has a molecular weight of 311.30 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-1-methoxy-1-naphthalen-2-ylpropyl)acetamide is sourced from PubChem (CID 138966445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).