N-[(2R,3S,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide

C16H26FNO2 — CID 176612760

IUPACN-[(2R,3S,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide
SMILESC=C=C[C@]1(F)[C@H](C(C)C)O[C@H](CC(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C16H26FNO2/c1-7-8-16(17)14(18-12(6)19)13(9-10(2)3)20-15(16)11(4)5/h8,10-11,13-15H,1,9H2,2-6H3,(H,18,19)/t13-,14+,15+,16-/m1/s1
InChIKeyUYYARDABTIWXNK-FXUDXRNXSA-N
MW283.39 g/mol
LogP3.01
Rot. Bonds5

About N-[(2R,3S,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide

N-[(2R,3S,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide (PubChem CID 176612760) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[(2R,3S,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3S,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide
PubChem CID176612760
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC NameN-[(2R,3S,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide
SMILESC=C=C[C@]1(F)[C@H](C(C)C)O[C@H](CC(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C16H26FNO2/c1-7-8-16(17)14(18-12(6)19)13(9-10(2)3)20-15(16)11(4)5/h8,10-11,13-15H,1,9H2,2-6H3,(H,18,19)/t13-,14+,15+,16-/m1/s1
InChIKeyUYYARDABTIWXNK-FXUDXRNXSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide?
The IUPAC name of N-[(2R,3S,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide (CID 176612760) is N-[(2R,3S,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3S,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3S,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide is C=C=C[C@]1(F)[C@H](C(C)C)O[C@H](CC(C)C)[C@@H]1NC(C)=O.
What is the InChIKey of N-[(2R,3S,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide?
The InChIKey is UYYARDABTIWXNK-FXUDXRNXSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-7-8-16(17)14(18-12(6)19)13(9-10(2)3)20-15(16)11(4)5/h8,10-11,13-15H,1,9H2,2-6H3,(H,18,19)/t13-,14+,15+,16-/m1/s1.
What are the key properties of N-[(2R,3S,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide?
N-[(2R,3S,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide has a molecular weight of 283.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide is sourced from PubChem (CID 176612760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).