4-[(1S)-1-fluoroprop-2-enyl]oxane

C8H13FO — CID 135080502

IUPAC4-[(1S)-1-fluoroprop-2-enyl]oxane
SMILESC=C[C@H](F)C1CCOCC1
InChIInChI=1S/C8H13FO/c1-2-8(9)7-3-5-10-6-4-7/h2,7-8H,1,3-6H2/t8-/m0/s1
InChIKeyMPXCAIKRDBWUDM-QMMMGPOBSA-N
MW144.19 g/mol
LogP1.94
Rot. Bonds2

About 4-[(1S)-1-fluoroprop-2-enyl]oxane

4-[(1S)-1-fluoroprop-2-enyl]oxane (PubChem CID 135080502) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is 4-[(1S)-1-fluoroprop-2-enyl]oxane.

Molecular Properties

Compound Name4-[(1S)-1-fluoroprop-2-enyl]oxane
PubChem CID135080502
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name4-[(1S)-1-fluoroprop-2-enyl]oxane
SMILESC=C[C@H](F)C1CCOCC1
InChIInChI=1S/C8H13FO/c1-2-8(9)7-3-5-10-6-4-7/h2,7-8H,1,3-6H2/t8-/m0/s1
InChIKeyMPXCAIKRDBWUDM-QMMMGPOBSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-fluoroprop-2-enyl]oxane?
The IUPAC name of 4-[(1S)-1-fluoroprop-2-enyl]oxane (CID 135080502) is 4-[(1S)-1-fluoroprop-2-enyl]oxane.
What is the SMILES notation for 4-[(1S)-1-fluoroprop-2-enyl]oxane?
The canonical SMILES for 4-[(1S)-1-fluoroprop-2-enyl]oxane is C=C[C@H](F)C1CCOCC1.
What is the InChIKey of 4-[(1S)-1-fluoroprop-2-enyl]oxane?
The InChIKey is MPXCAIKRDBWUDM-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13FO/c1-2-8(9)7-3-5-10-6-4-7/h2,7-8H,1,3-6H2/t8-/m0/s1.
What are the key properties of 4-[(1S)-1-fluoroprop-2-enyl]oxane?
4-[(1S)-1-fluoroprop-2-enyl]oxane has a molecular weight of 144.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-fluoroprop-2-enyl]oxane is sourced from PubChem (CID 135080502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).