(2S,5S)-5-fluoro-2-prop-2-enyloxane

C8H13FO — CID 101272087

IUPAC(2S,5S)-5-fluoro-2-prop-2-enyloxane
SMILESC=CC[C@@H]1CC[C@H](F)CO1
InChIInChI=1S/C8H13FO/c1-2-3-8-5-4-7(9)6-10-8/h2,7-8H,1,3-6H2/t7-,8+/m0/s1
InChIKeySQJWMWKCLHZMJK-JGVFFNPUSA-N
MW144.19 g/mol
LogP2.08
Rot. Bonds2

About (2S,5S)-5-fluoro-2-prop-2-enyloxane

(2S,5S)-5-fluoro-2-prop-2-enyloxane (PubChem CID 101272087) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is (2S,5S)-5-fluoro-2-prop-2-enyloxane.

Molecular Properties

Compound Name(2S,5S)-5-fluoro-2-prop-2-enyloxane
PubChem CID101272087
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name(2S,5S)-5-fluoro-2-prop-2-enyloxane
SMILESC=CC[C@@H]1CC[C@H](F)CO1
InChIInChI=1S/C8H13FO/c1-2-3-8-5-4-7(9)6-10-8/h2,7-8H,1,3-6H2/t7-,8+/m0/s1
InChIKeySQJWMWKCLHZMJK-JGVFFNPUSA-N
XLogP2.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Prop-2-en-1-yl)oxane
CID 10866337
(2R)-2-(Prop-2-en-1-yl)oxane
CID 71368402
2,6-Bis(1-fluoroprop-2-enyl)oxane
CID 70392083
2,6-Bis(3-fluoroprop-2-enyl)oxane
CID 70392086
2,3,3,4,4,5,5,6-Octafluoro-2-prop-2-enyloxane
CID 88490024
[2-(3-Fluoroprop-2-enyl)oxan-2-yl]silane
CID 123423157
(2S,6S)-2-pentyl-6-prop-2-enyloxane
CID 10512105
(2R,5S)-5-fluoro-2-prop-2-enyloxane
CID 101272088
2-But-3-enyloxane
CID 12860233
1-Hepta-1,6-dien-4-yloxyheptane
CID 88561850
2-Non-8-enyloxane
CID 89229144
Alumane;2-prop-2-enyloxane
CID 173002887

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-fluoro-2-prop-2-enyloxane?
The IUPAC name of (2S,5S)-5-fluoro-2-prop-2-enyloxane (CID 101272087) is (2S,5S)-5-fluoro-2-prop-2-enyloxane.
What is the SMILES notation for (2S,5S)-5-fluoro-2-prop-2-enyloxane?
The canonical SMILES for (2S,5S)-5-fluoro-2-prop-2-enyloxane is C=CC[C@@H]1CC[C@H](F)CO1.
What is the InChIKey of (2S,5S)-5-fluoro-2-prop-2-enyloxane?
The InChIKey is SQJWMWKCLHZMJK-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H13FO/c1-2-3-8-5-4-7(9)6-10-8/h2,7-8H,1,3-6H2/t7-,8+/m0/s1.
What are the key properties of (2S,5S)-5-fluoro-2-prop-2-enyloxane?
(2S,5S)-5-fluoro-2-prop-2-enyloxane has a molecular weight of 144.19 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-fluoro-2-prop-2-enyloxane is sourced from PubChem (CID 101272087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).