2-fluoro-3-prop-2-enoxypropan-1-ol

C6H11FO2 — CID 15053839

IUPAC2-fluoro-3-prop-2-enoxypropan-1-ol
SMILESC=CCOCC(F)CO
InChIInChI=1S/C6H11FO2/c1-2-3-9-5-6(7)4-8/h2,6,8H,1,3-5H2
InChIKeyXVXYASVYSMHAJI-UHFFFAOYSA-N
MW134.15 g/mol
LogP0.52
Rot. Bonds5

About 2-fluoro-3-prop-2-enoxypropan-1-ol

2-fluoro-3-prop-2-enoxypropan-1-ol (PubChem CID 15053839) has the molecular formula C6H11FO2 and a molecular weight of 134.15 g/mol. Its IUPAC name is 2-fluoro-3-prop-2-enoxypropan-1-ol.

Molecular Properties

Compound Name2-fluoro-3-prop-2-enoxypropan-1-ol
PubChem CID15053839
Molecular FormulaC6H11FO2
Molecular Weight134.15 g/mol
Exact Mass134.07
IUPAC Name2-fluoro-3-prop-2-enoxypropan-1-ol
SMILESC=CCOCC(F)CO
InChIInChI=1S/C6H11FO2/c1-2-3-9-5-6(7)4-8/h2,6,8H,1,3-5H2
InChIKeyXVXYASVYSMHAJI-UHFFFAOYSA-N
XLogP0.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-prop-2-enoxypropan-1-ol?
The IUPAC name of 2-fluoro-3-prop-2-enoxypropan-1-ol (CID 15053839) is 2-fluoro-3-prop-2-enoxypropan-1-ol.
What is the SMILES notation for 2-fluoro-3-prop-2-enoxypropan-1-ol?
The canonical SMILES for 2-fluoro-3-prop-2-enoxypropan-1-ol is C=CCOCC(F)CO.
What is the InChIKey of 2-fluoro-3-prop-2-enoxypropan-1-ol?
The InChIKey is XVXYASVYSMHAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO2/c1-2-3-9-5-6(7)4-8/h2,6,8H,1,3-5H2.
What are the key properties of 2-fluoro-3-prop-2-enoxypropan-1-ol?
2-fluoro-3-prop-2-enoxypropan-1-ol has a molecular weight of 134.15 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-prop-2-enoxypropan-1-ol is sourced from PubChem (CID 15053839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).