2,2,2-trifluoro-N-(2-naphthalen-1-yloxyethyl)acetamide

C14H12F3NO2 — CID 2063074

IUPAC2,2,2-trifluoro-N-(2-naphthalen-1-yloxyethyl)acetamide
SMILESO=C(NCCOc1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)13(19)18-8-9-20-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,18,19)
InChIKeyVXMZYMHNHRFYRA-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.90
Rot. Bonds4

About 2,2,2-trifluoro-N-(2-naphthalen-1-yloxyethyl)acetamide

2,2,2-trifluoro-N-(2-naphthalen-1-yloxyethyl)acetamide (PubChem CID 2063074) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-naphthalen-1-yloxyethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-naphthalen-1-yloxyethyl)acetamide
PubChem CID2063074
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name2,2,2-trifluoro-N-(2-naphthalen-1-yloxyethyl)acetamide
SMILESO=C(NCCOc1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)13(19)18-8-9-20-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,18,19)
InChIKeyVXMZYMHNHRFYRA-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174581
3-bromo-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174691
2-(2,6-dimethylphenoxy)-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 19174649
butyl N-(2-naphthalen-1-yloxyethyl)carbamate
CID 19174706
N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid
CID 2949357
2-(cyclopropylmethylamino)-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 119738759
(2S)-2-amino-4-methyl-N-(2-naphthalen-1-yloxyethyl)pentanamide
CID 119738781
3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174588
2-(2-methylphenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220515
5-bromo-N-(2-naphthalen-1-yloxyethyl)thiophene-2-carboxamide
CID 55889774
3-(2-naphthalen-1-yloxyethylcarbamoylamino)-N-propan-2-ylpropanamide
CID 60544727
N-(2-naphthalen-1-yloxyethyl)-1H-pyrazole-5-carboxamide
CID 71939309

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-naphthalen-1-yloxyethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-naphthalen-1-yloxyethyl)acetamide (CID 2063074) is 2,2,2-trifluoro-N-(2-naphthalen-1-yloxyethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-naphthalen-1-yloxyethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-naphthalen-1-yloxyethyl)acetamide is O=C(NCCOc1cccc2ccccc12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-naphthalen-1-yloxyethyl)acetamide?
The InChIKey is VXMZYMHNHRFYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c15-14(16,17)13(19)18-8-9-20-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,18,19).
What are the key properties of 2,2,2-trifluoro-N-(2-naphthalen-1-yloxyethyl)acetamide?
2,2,2-trifluoro-N-(2-naphthalen-1-yloxyethyl)acetamide has a molecular weight of 283.25 g/mol, XLogP of 2.90, 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-naphthalen-1-yloxyethyl)acetamide is sourced from PubChem (CID 2063074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).