(E)-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]but-2-enamide

C17H13F6NO2 — CID 10068147

IUPAC(E)-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]but-2-enamide
SMILESC/C=C/C(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C17H13F6NO2/c1-2-5-13(25)24-14-11-7-4-3-6-10(11)8-9-12(14)15(26,16(18,19)20)17(21,22)23/h2-9,26H,1H3,(H,24,25)/b5-2+
InChIKeyVJKYYEYGWAEQTK-GORDUTHDSA-N
MW377.28 g/mol
LogP4.67
Rot. Bonds3

About (E)-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]but-2-enamide

(E)-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]but-2-enamide (PubChem CID 10068147) has the molecular formula C17H13F6NO2 and a molecular weight of 377.28 g/mol. Its IUPAC name is (E)-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]but-2-enamide
PubChem CID10068147
Molecular FormulaC17H13F6NO2
Molecular Weight377.28 g/mol
Exact Mass377.09
IUPAC Name(E)-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]but-2-enamide
SMILESC/C=C/C(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C17H13F6NO2/c1-2-5-13(25)24-14-11-7-4-3-6-10(11)8-9-12(14)15(26,16(18,19)20)17(21,22)23/h2-9,26H,1H3,(H,24,25)/b5-2+
InChIKeyVJKYYEYGWAEQTK-GORDUTHDSA-N
XLogP4.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]but-2-enamide with MolForge

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Related Compounds

2-(1-Aminonaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 772871
A-151892
CID 4397986
N-[5-Hydroxy-2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-acetamide
CID 10021851
N-[2-(2,2,2-Trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-butyramide
CID 10022595
Cyclobutanecarboxylic acid [2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-amide
CID 10045948
N-[2-(2,2,2-Trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-3-trifluoromethyl-benzamide
CID 10073922
Cyclopentanecarboxylic acid [2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-amide
CID 10092671
2-Methoxy-N-[2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-acetamide
CID 10249251
3-Methyl-but-2-enoic acid [2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-amide
CID 10318275
N-[2-(2,2,2-Trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-benzamide
CID 10341635
4-Methyl-N-[2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-benzamide
CID 10342450
Cyclopropanecarboxylic acid [2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-amide
CID 10362210

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]but-2-enamide?
The IUPAC name of (E)-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]but-2-enamide (CID 10068147) is (E)-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]but-2-enamide?
The canonical SMILES for (E)-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]but-2-enamide is C/C=C/C(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12.
What is the InChIKey of (E)-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]but-2-enamide?
The InChIKey is VJKYYEYGWAEQTK-GORDUTHDSA-N. The full InChI is InChI=1S/C17H13F6NO2/c1-2-5-13(25)24-14-11-7-4-3-6-10(11)8-9-12(14)15(26,16(18,19)20)17(21,22)23/h2-9,26H,1H3,(H,24,25)/b5-2+.
What are the key properties of (E)-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]but-2-enamide?
(E)-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]but-2-enamide has a molecular weight of 377.28 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]but-2-enamide is sourced from PubChem (CID 10068147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).