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

C6H11FO2 — CID 15053840

IUPAC1-fluoro-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)CF
InChIInChI=1S/C6H11FO2/c1-2-3-9-5-6(8)4-7/h2,6,8H,1,3-5H2
InChIKeyHNTCKQGTXMUZFJ-UHFFFAOYSA-N
MW134.15 g/mol
LogP0.52
Rot. Bonds5

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

1-fluoro-3-prop-2-enoxypropan-2-ol (PubChem CID 15053840) has the molecular formula C6H11FO2 and a molecular weight of 134.15 g/mol. Its IUPAC name is 1-fluoro-3-prop-2-enoxypropan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-prop-2-enoxypropan-2-ol
PubChem CID15053840
Molecular FormulaC6H11FO2
Molecular Weight134.15 g/mol
Exact Mass134.07
IUPAC Name1-fluoro-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)CF
InChIInChI=1S/C6H11FO2/c1-2-3-9-5-6(8)4-7/h2,6,8H,1,3-5H2
InChIKeyHNTCKQGTXMUZFJ-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'}

Analyze 1-fluoro-3-prop-2-enoxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-prop-2-enoxypropan-2-ol?
The IUPAC name of 1-fluoro-3-prop-2-enoxypropan-2-ol (CID 15053840) is 1-fluoro-3-prop-2-enoxypropan-2-ol.
What is the SMILES notation for 1-fluoro-3-prop-2-enoxypropan-2-ol?
The canonical SMILES for 1-fluoro-3-prop-2-enoxypropan-2-ol is C=CCOCC(O)CF.
What is the InChIKey of 1-fluoro-3-prop-2-enoxypropan-2-ol?
The InChIKey is HNTCKQGTXMUZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO2/c1-2-3-9-5-6(8)4-7/h2,6,8H,1,3-5H2.
What are the key properties of 1-fluoro-3-prop-2-enoxypropan-2-ol?
1-fluoro-3-prop-2-enoxypropan-2-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 1-fluoro-3-prop-2-enoxypropan-2-ol is sourced from PubChem (CID 15053840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).