4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-3-ol

C9H11FO2 — CID 142279556

IUPAC4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-3-ol
SMILESC=CC1=C(C(=C)F)COCC1O
InChIInChI=1S/C9H11FO2/c1-3-7-8(6(2)10)4-12-5-9(7)11/h3,9,11H,1-2,4-5H2
InChIKeyXNQGNCNMDRTWOG-UHFFFAOYSA-N
MW170.18 g/mol
LogP1.34
Rot. Bonds2

About 4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-3-ol

4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-3-ol (PubChem CID 142279556) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-3-ol
PubChem CID142279556
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-3-ol
SMILESC=CC1=C(C(=C)F)COCC1O
InChIInChI=1S/C9H11FO2/c1-3-7-8(6(2)10)4-12-5-9(7)11/h3,9,11H,1-2,4-5H2
InChIKeyXNQGNCNMDRTWOG-UHFFFAOYSA-N
XLogP1.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-3-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 4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of 4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-3-ol (CID 142279556) is 4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for 4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for 4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-3-ol is C=CC1=C(C(=C)F)COCC1O.
What is the InChIKey of 4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is XNQGNCNMDRTWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2/c1-3-7-8(6(2)10)4-12-5-9(7)11/h3,9,11H,1-2,4-5H2.
What are the key properties of 4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-3-ol?
4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 170.18 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 142279556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).