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

C14H24FNO — CID 176613045

IUPAC(2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine
SMILESC=C=C[C@@]1(F)[C@H](N)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C14H24FNO/c1-6-7-14(15)12(16)11(8-9(2)3)17-13(14)10(4)5/h7,9-13H,1,8,16H2,2-5H3/t11-,12-,13+,14-/m1/s1
InChIKeyCCFHMHIFNTURRS-YIYPIFLZSA-N
MW241.35 g/mol
LogP2.83
Rot. Bonds4

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

(2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine (PubChem CID 176613045) has the molecular formula C14H24FNO and a molecular weight of 241.35 g/mol. Its IUPAC name is (2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine.

Molecular Properties

Compound Name(2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine
PubChem CID176613045
Molecular FormulaC14H24FNO
Molecular Weight241.35 g/mol
Exact Mass241.18
IUPAC Name(2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine
SMILESC=C=C[C@@]1(F)[C@H](N)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C14H24FNO/c1-6-7-14(15)12(16)11(8-9(2)3)17-13(14)10(4)5/h7,9-13H,1,8,16H2,2-5H3/t11-,12-,13+,14-/m1/s1
InChIKeyCCFHMHIFNTURRS-YIYPIFLZSA-N
XLogP2.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine?
The IUPAC name of (2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine (CID 176613045) is (2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine.
What is the SMILES notation for (2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine?
The canonical SMILES for (2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine is C=C=C[C@@]1(F)[C@H](N)[C@@H](CC(C)C)O[C@H]1C(C)C.
What is the InChIKey of (2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine?
The InChIKey is CCFHMHIFNTURRS-YIYPIFLZSA-N. The full InChI is InChI=1S/C14H24FNO/c1-6-7-14(15)12(16)11(8-9(2)3)17-13(14)10(4)5/h7,9-13H,1,8,16H2,2-5H3/t11-,12-,13+,14-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine?
(2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine has a molecular weight of 241.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine is sourced from PubChem (CID 176613045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).