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

C16H16F3NO2 — CID 87160915

IUPAC2,2,2-trifluoro-N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropyl)acetamide
SMILESCC(O)(CNC(=O)C(F)(F)F)Cc1cccc2ccccc12
InChIInChI=1S/C16H16F3NO2/c1-15(22,10-20-14(21)16(17,18)19)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,22H,9-10H2,1H3,(H,20,21)
InChIKeyZAQAFDGIWVWZKV-UHFFFAOYSA-N
MW311.30 g/mol
LogP2.81
Rot. Bonds4

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

2,2,2-trifluoro-N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropyl)acetamide (PubChem CID 87160915) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropyl)acetamide
PubChem CID87160915
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC Name2,2,2-trifluoro-N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropyl)acetamide
SMILESCC(O)(CNC(=O)C(F)(F)F)Cc1cccc2ccccc12
InChIInChI=1S/C16H16F3NO2/c1-15(22,10-20-14(21)16(17,18)19)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,22H,9-10H2,1H3,(H,20,21)
InChIKeyZAQAFDGIWVWZKV-UHFFFAOYSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylamino)-2-methyl-3-naphthalen-1-ylpropan-2-ol
CID 66040349
1-(2-fluoro-2-methylpropyl)naphthalene
CID 118859745
2,2,2-trifluoro-N'-(2-naphthalen-1-ylacetyl)acetohydrazide
CID 905420
N-(2-hydroxy-2-methylpropyl)-2-naphthalen-1-ylacetamide
CID 65110602
2-hydroxy-2-methyl-N-(2-naphthalen-1-ylethyl)propanamide
CID 115178963
1-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(naphthalen-1-ylmethyl)urea
CID 71782105
2,2-dimethyl-3-naphthalen-1-ylpropanamide
CID 90911277
1-(2-hydroxy-2-phenylpropyl)-3-(naphthalen-1-ylmethyl)urea
CID 121112095
2-methyl-2-(naphthalen-1-ylmethyl)butanedioic acid
CID 19928713
tert-butyl N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl)carbamate
CID 174358419
1-(2,3-dihydroxy-2-methylpropyl)-3-naphthalen-1-ylurea
CID 66170746
1-(2,2-dimethylpropyl)naphthalene;methane
CID 145304916

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropyl)acetamide (CID 87160915) is 2,2,2-trifluoro-N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropyl)acetamide is CC(O)(CNC(=O)C(F)(F)F)Cc1cccc2ccccc12.
What is the InChIKey of 2,2,2-trifluoro-N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropyl)acetamide?
The InChIKey is ZAQAFDGIWVWZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2/c1-15(22,10-20-14(21)16(17,18)19)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,22H,9-10H2,1H3,(H,20,21).
What are the key properties of 2,2,2-trifluoro-N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropyl)acetamide?
2,2,2-trifluoro-N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropyl)acetamide has a molecular weight of 311.30 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropyl)acetamide is sourced from PubChem (CID 87160915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).