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

C13H24FNO2 — CID 176612777

IUPACN-[(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H](F)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C13H24FNO2/c1-7(2)6-10-11(14)12(15-9(5)16)13(17-10)8(3)4/h7-8,10-13H,6H2,1-5H3,(H,15,16)/t10-,11-,12-,13+/m1/s1
InChIKeyISXLLMCBPSTUEO-LPWJVIDDSA-N
MW245.34 g/mol
LogP2.30
Rot. Bonds4

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

N-[(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-yl]acetamide (PubChem CID 176612777) has the molecular formula C13H24FNO2 and a molecular weight of 245.34 g/mol. Its IUPAC name is N-[(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-yl]acetamide
PubChem CID176612777
Molecular FormulaC13H24FNO2
Molecular Weight245.34 g/mol
Exact Mass245.18
IUPAC NameN-[(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H](F)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C13H24FNO2/c1-7(2)6-10-11(14)12(15-9(5)16)13(17-10)8(3)4/h7-8,10-13H,6H2,1-5H3,(H,15,16)/t10-,11-,12-,13+/m1/s1
InChIKeyISXLLMCBPSTUEO-LPWJVIDDSA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

N-[(2R,3S,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-yl]acetamide
CID 176612760
N-[(2R,3S,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide
CID 176612923
N-[(2R,3S,4R,5S)-4-ethynyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide
CID 176612931
(2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
CID 176612956
(2R,4S)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine
CID 99995037
(2S,4S)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine
CID 99995039
(2R,4R)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine
CID 99995042
(2S,4R)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine
CID 99995044
4-(2-Fluoro-ethoxy)-2-isobutyl-pyrrolidine
CID 102568648
N-(2-cyclopropyloxolan-3-yl)-2,2,2-trifluoroacetamide
CID 103867566
N-(2-cyclopropyloxolan-3-yl)-2,2,3,3,3-pentafluoropropanamide
CID 105855283
N-(2-cyclopropyloxolan-3-yl)-2,2-difluoroacetamide
CID 107168174

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-yl]acetamide?
The IUPAC name of N-[(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-yl]acetamide (CID 176612777) is N-[(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-yl]acetamide is CC(=O)N[C@@H]1[C@H](F)[C@@H](CC(C)C)O[C@H]1C(C)C.
What is the InChIKey of N-[(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-yl]acetamide?
The InChIKey is ISXLLMCBPSTUEO-LPWJVIDDSA-N. The full InChI is InChI=1S/C13H24FNO2/c1-7(2)6-10-11(14)12(15-9(5)16)13(17-10)8(3)4/h7-8,10-13H,6H2,1-5H3,(H,15,16)/t10-,11-,12-,13+/m1/s1.
What are the key properties of N-[(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-yl]acetamide?
N-[(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-yl]acetamide has a molecular weight of 245.34 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-[(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-yl]acetamide is sourced from PubChem (CID 176612777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).