(2R,3S,4R,5S)-4-fluoro-N-methyl-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine

C15H26FNO — CID 176613182

IUPAC(2R,3S,4R,5S)-4-fluoro-N-methyl-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine
SMILESC=C=C[C@]1(F)[C@H](C(C)C)O[C@H](CC(C)C)[C@@H]1NC
InChIInChI=1S/C15H26FNO/c1-7-8-15(16)13(17-6)12(9-10(2)3)18-14(15)11(4)5/h8,10-14,17H,1,9H2,2-6H3/t12-,13+,14+,15-/m1/s1
InChIKeyUNVLXVGMPLOYJI-CBBWQLFWSA-N
MW255.38 g/mol
LogP3.09
Rot. Bonds5

About (2R,3S,4R,5S)-4-fluoro-N-methyl-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine

(2R,3S,4R,5S)-4-fluoro-N-methyl-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine (PubChem CID 176613182) has the molecular formula C15H26FNO and a molecular weight of 255.38 g/mol. Its IUPAC name is (2R,3S,4R,5S)-4-fluoro-N-methyl-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine.

Molecular Properties

Compound Name(2R,3S,4R,5S)-4-fluoro-N-methyl-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine
PubChem CID176613182
Molecular FormulaC15H26FNO
Molecular Weight255.38 g/mol
Exact Mass255.20
IUPAC Name(2R,3S,4R,5S)-4-fluoro-N-methyl-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine
SMILESC=C=C[C@]1(F)[C@H](C(C)C)O[C@H](CC(C)C)[C@@H]1NC
InChIInChI=1S/C15H26FNO/c1-7-8-15(16)13(17-6)12(9-10(2)3)18-14(15)11(4)5/h8,10-14,17H,1,9H2,2-6H3/t12-,13+,14+,15-/m1/s1
InChIKeyUNVLXVGMPLOYJI-CBBWQLFWSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-4-fluoro-N-methyl-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine?
The IUPAC name of (2R,3S,4R,5S)-4-fluoro-N-methyl-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine (CID 176613182) is (2R,3S,4R,5S)-4-fluoro-N-methyl-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine.
What is the SMILES notation for (2R,3S,4R,5S)-4-fluoro-N-methyl-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine?
The canonical SMILES for (2R,3S,4R,5S)-4-fluoro-N-methyl-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine is C=C=C[C@]1(F)[C@H](C(C)C)O[C@H](CC(C)C)[C@@H]1NC.
What is the InChIKey of (2R,3S,4R,5S)-4-fluoro-N-methyl-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine?
The InChIKey is UNVLXVGMPLOYJI-CBBWQLFWSA-N. The full InChI is InChI=1S/C15H26FNO/c1-7-8-15(16)13(17-6)12(9-10(2)3)18-14(15)11(4)5/h8,10-14,17H,1,9H2,2-6H3/t12-,13+,14+,15-/m1/s1.
What are the key properties of (2R,3S,4R,5S)-4-fluoro-N-methyl-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine?
(2R,3S,4R,5S)-4-fluoro-N-methyl-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine has a molecular weight of 255.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-4-fluoro-N-methyl-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine is sourced from PubChem (CID 176613182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).