2-cyclopentyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]acetamide

C20H19F6NO2 — CID 11742811

IUPAC2-cyclopentyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]acetamide
SMILESO=C(CC1CCCC1)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C20H19F6NO2/c21-19(22,23)18(29,20(24,25)26)15-10-9-13-7-3-4-8-14(13)17(15)27-16(28)11-12-5-1-2-6-12/h3-4,7-10,12,29H,1-2,5-6,11H2,(H,27,28)
InChIKeySQIOSKPMCKIBDS-UHFFFAOYSA-N
MW419.37 g/mol
LogP5.67
Rot. Bonds4

About 2-cyclopentyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]acetamide

2-cyclopentyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]acetamide (PubChem CID 11742811) has the molecular formula C20H19F6NO2 and a molecular weight of 419.37 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]acetamide
PubChem CID11742811
Molecular FormulaC20H19F6NO2
Molecular Weight419.37 g/mol
Exact Mass419.13
IUPAC Name2-cyclopentyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]acetamide
SMILESO=C(CC1CCCC1)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C20H19F6NO2/c21-19(22,23)18(29,20(24,25)26)15-10-9-13-7-3-4-8-14(13)17(15)27-16(28)11-12-5-1-2-6-12/h3-4,7-10,12,29H,1-2,5-6,11H2,(H,27,28)
InChIKeySQIOSKPMCKIBDS-UHFFFAOYSA-N
XLogP5.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.37
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

A-151892
CID 4397986
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
3-Methyl-N-[2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-benzamide
CID 10365187
N-[2-(2,2,2-Trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-propionamide
CID 10451456

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]acetamide (CID 11742811) is 2-cyclopentyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]acetamide is O=C(CC1CCCC1)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12.
What is the InChIKey of 2-cyclopentyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]acetamide?
The InChIKey is SQIOSKPMCKIBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F6NO2/c21-19(22,23)18(29,20(24,25)26)15-10-9-13-7-3-4-8-14(13)17(15)27-16(28)11-12-5-1-2-6-12/h3-4,7-10,12,29H,1-2,5-6,11H2,(H,27,28).
What are the key properties of 2-cyclopentyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]acetamide?
2-cyclopentyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]acetamide has a molecular weight of 419.37 g/mol, XLogP of 5.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]acetamide is sourced from PubChem (CID 11742811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).