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

C13H23FO2 — CID 176613058

IUPAC(2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol
SMILESC=C[C@@]1(F)[C@H](O)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C13H23FO2/c1-6-13(14)11(15)10(7-8(2)3)16-12(13)9(4)5/h6,8-12,15H,1,7H2,2-5H3/t10-,11-,12+,13-/m1/s1
InChIKeyAIYBYDULZOPPLG-FVCCEPFGSA-N
MW230.32 g/mol
LogP2.71
Rot. Bonds4

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

(2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol (PubChem CID 176613058) has the molecular formula C13H23FO2 and a molecular weight of 230.32 g/mol. Its IUPAC name is (2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol
PubChem CID176613058
Molecular FormulaC13H23FO2
Molecular Weight230.32 g/mol
Exact Mass230.17
IUPAC Name(2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol
SMILESC=C[C@@]1(F)[C@H](O)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C13H23FO2/c1-6-13(14)11(15)10(7-8(2)3)16-12(13)9(4)5/h6,8-12,15H,1,7H2,2-5H3/t10-,11-,12+,13-/m1/s1
InChIKeyAIYBYDULZOPPLG-FVCCEPFGSA-N
XLogP2.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 52.71
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,3R,4R,5S)-5-cyclohexa-2,4-dien-1-yl-2-(ethoxymethyl)-4-fluorooxolan-3-ol
CID 169883837
(2S,3S,4R,5R)-3-fluoro-4-methoxy-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane
CID 176612718
(2S,3S,4R,5R)-3-ethenyl-3-fluoro-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolane
CID 176612739
(2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-ol
CID 176613039
(3R,4R)-4-prop-1-en-2-yl-2,2-bis(prop-2-enyl)oxolan-3-ol
CID 101847806
[(2R,3R,4R)-4-ethenyl-2-(2-methylpropyl)oxolan-3-yl]methanol
CID 134961063
(2R)-3-[(10S)-10-methylheptadec-16-enoxy]propane-1,2-diol
CID 56653505
4-(Pent-4-en-1-yl)oxolan-3-ol
CID 58158107
(3R,4S)-4-pent-4-enyloxolan-3-ol
CID 66897008
rac-(3R,4S)-4-(pent-4-en-1-yl)oxolan-3-ol
CID 66897009
1-[(4R,5S)-4-methyl-5-propan-2-yloxolan-2-yl]prop-2-en-1-ol
CID 68206262
(2S)-3-[(2R,3R,5S)-3-methoxy-4-methyl-5-prop-2-enyloxolan-2-yl]propane-1,2-diol
CID 68301973

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-ol?
The IUPAC name of (2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol (CID 176613058) is (2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol is C=C[C@@]1(F)[C@H](O)[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-ol?
The InChIKey is AIYBYDULZOPPLG-FVCCEPFGSA-N. The full InChI is InChI=1S/C13H23FO2/c1-6-13(14)11(15)10(7-8(2)3)16-12(13)9(4)5/h6,8-12,15H,1,7H2,2-5H3/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-ol?
(2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol has a molecular weight of 230.32 g/mol, XLogP of 2.71, 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-ol is sourced from PubChem (CID 176613058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).