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

C12H24FNO — CID 176612956

IUPAC(2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
SMILESCN[C@@H]1[C@H](F)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C12H24FNO/c1-7(2)6-9-10(13)11(14-5)12(15-9)8(3)4/h7-12,14H,6H2,1-5H3/t9-,10-,11-,12+/m1/s1
InChIKeyNSNXVZJLDLEQRE-KKOKHZNYSA-N
MW217.33 g/mol
LogP2.38
Rot. Bonds4

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

(2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine (PubChem CID 176612956) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is (2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine.

Molecular Properties

Compound Name(2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
PubChem CID176612956
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name(2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
SMILESCN[C@@H]1[C@H](F)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C12H24FNO/c1-7(2)6-9-10(13)11(14-5)12(15-9)8(3)4/h7-12,14H,6H2,1-5H3/t9-,10-,11-,12+/m1/s1
InChIKeyNSNXVZJLDLEQRE-KKOKHZNYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine with MolForge

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Launch Full Analysis

Related Compounds

4-Fluoro-5-methyl-2-propan-2-yloxolan-3-amine
CID 123551885
N-[(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-yl]acetamide
CID 176612777
(2R,3S,4R,5S)-4-ethenyl-4-fluoro-N-methyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-amine
CID 176612833
(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
CID 176612976
(2R,3S,4R,5S)-4-ethynyl-4-fluoro-N-methyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-amine
CID 176613155
(2S,3S,4S,5R)-4-fluoro-N,N-dimethyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
CID 176613164
(2R,3S,4R,5S)-4-fluoro-N-methyl-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine
CID 176613182
(2R,4S)-2-butyl-4-(2-fluoroethoxy)pyrrolidine
CID 99995010
(2S,4S)-2-butyl-4-(2-fluoroethoxy)pyrrolidine
CID 99995014
(2R,4R)-2-butyl-4-(2-fluoroethoxy)pyrrolidine
CID 99995018
(2S,4R)-2-butyl-4-(2-fluoroethoxy)pyrrolidine
CID 99995020
(2S,4S)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine
CID 99995025

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine?
The IUPAC name of (2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine (CID 176612956) is (2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine.
What is the SMILES notation for (2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine?
The canonical SMILES for (2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine is CN[C@@H]1[C@H](F)[C@@H](CC(C)C)O[C@H]1C(C)C.
What is the InChIKey of (2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine?
The InChIKey is NSNXVZJLDLEQRE-KKOKHZNYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-7(2)6-9-10(13)11(14-5)12(15-9)8(3)4/h7-12,14H,6H2,1-5H3/t9-,10-,11-,12+/m1/s1.
What are the key properties of (2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine?
(2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine has a molecular weight of 217.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine is sourced from PubChem (CID 176612956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).