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

C13H24FNO — CID 176612815

IUPAC(2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-amine
SMILESC=C[C@@]1(F)[C@H](N)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C13H24FNO/c1-6-13(14)11(15)10(7-8(2)3)16-12(13)9(4)5/h6,8-12H,1,7,15H2,2-5H3/t10-,11-,12+,13-/m1/s1
InChIKeyVSJDFMHGLSRFTD-FVCCEPFGSA-N
MW229.34 g/mol
LogP2.68
Rot. Bonds4

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

(2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-amine (PubChem CID 176612815) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is (2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-amine.

Molecular Properties

Compound Name(2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-amine
PubChem CID176612815
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name(2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-amine
SMILESC=C[C@@]1(F)[C@H](N)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C13H24FNO/c1-6-13(14)11(15)10(7-8(2)3)16-12(13)9(4)5/h6,8-12H,1,7,15H2,2-5H3/t10-,11-,12+,13-/m1/s1
InChIKeyVSJDFMHGLSRFTD-FVCCEPFGSA-N
XLogP2.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4R,5S)-4-ethenyl-4-fluoro-N-methyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-amine
CID 176612833
(2R,3R,4R,5S)-4-ethenyl-4-fluoro-N,N-dimethyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-amine
CID 176612871
(2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine
CID 176613045
(2R,3S,4R,5S)-4-fluoro-N-methyl-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine
CID 176613182
(3S,5R)-6-ethyl-2-prop-2-enyl-5-propyloxan-3-amine
CID 170204912
(2R,3R,4R,5S)-4-chloro-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-amine
CID 176612834
(2R,3R,4R,5S)-4-chloro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine
CID 176612908
(2R,3R,4R,5S)-4-ethenyl-4-methoxy-2-(2-methylpropyl)-5-propan-2-yloxolan-3-amine
CID 176612912
(2S,3R,4S,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine
CID 176613077
(2S,3R,4S,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diamine
CID 176613245
2-Cyclohex-3-en-1-yloxolan-3-amine
CID 79365764
2-(3,5-Dimethylcyclohex-3-en-1-yl)oxolan-3-amine
CID 103277917

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-amine?
The IUPAC name of (2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-amine (CID 176612815) is (2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-amine.
What is the SMILES notation for (2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-amine?
The canonical SMILES for (2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-amine is 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-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-amine?
The InChIKey is VSJDFMHGLSRFTD-FVCCEPFGSA-N. The full InChI is InChI=1S/C13H24FNO/c1-6-13(14)11(15)10(7-8(2)3)16-12(13)9(4)5/h6,8-12H,1,7,15H2,2-5H3/t10-,11-,12+,13-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-amine?
(2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-amine has a molecular weight of 229.34 g/mol, XLogP of 2.68, 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-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-amine is sourced from PubChem (CID 176612815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).