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

C15H24FNO2 — CID 176612931

IUPACN-[(2R,3S,4R,5S)-4-ethynyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide
SMILESC#C[C@]1(F)[C@H](C(C)C)O[C@H](CC(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C15H24FNO2/c1-7-15(16)13(17-11(6)18)12(8-9(2)3)19-14(15)10(4)5/h1,9-10,12-14H,8H2,2-6H3,(H,17,18)/t12-,13+,14+,15-/m1/s1
InChIKeyPDBABHSEXQCNAJ-CBBWQLFWSA-N
MW269.36 g/mol
LogP2.30
Rot. Bonds4

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

N-[(2R,3S,4R,5S)-4-ethynyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide (PubChem CID 176612931) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is N-[(2R,3S,4R,5S)-4-ethynyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3S,4R,5S)-4-ethynyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide
PubChem CID176612931
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC NameN-[(2R,3S,4R,5S)-4-ethynyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide
SMILESC#C[C@]1(F)[C@H](C(C)C)O[C@H](CC(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C15H24FNO2/c1-7-15(16)13(17-11(6)18)12(8-9(2)3)19-14(15)10(4)5/h1,9-10,12-14H,8H2,2-6H3,(H,17,18)/t12-,13+,14+,15-/m1/s1
InChIKeyPDBABHSEXQCNAJ-CBBWQLFWSA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4R,5S)-4-ethynyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide?
The IUPAC name of N-[(2R,3S,4R,5S)-4-ethynyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide (CID 176612931) is N-[(2R,3S,4R,5S)-4-ethynyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3S,4R,5S)-4-ethynyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3S,4R,5S)-4-ethynyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide is 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-ethynyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide?
The InChIKey is PDBABHSEXQCNAJ-CBBWQLFWSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-7-15(16)13(17-11(6)18)12(8-9(2)3)19-14(15)10(4)5/h1,9-10,12-14H,8H2,2-6H3,(H,17,18)/t12-,13+,14+,15-/m1/s1.
What are the key properties of N-[(2R,3S,4R,5S)-4-ethynyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide?
N-[(2R,3S,4R,5S)-4-ethynyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide has a molecular weight of 269.36 g/mol, XLogP of 2.30, 4 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-ethynyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide is sourced from PubChem (CID 176612931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).