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

C9H11FO2 — CID 164603367

IUPAC6-ethenyl-5-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-3-ol
SMILESC=CC1=C(C(=C)F)CC(O)CO1
InChIInChI=1S/C9H11FO2/c1-3-9-8(6(2)10)4-7(11)5-12-9/h3,7,11H,1-2,4-5H2
InChIKeyRWMUTVZMFQATLP-UHFFFAOYSA-N
MW170.18 g/mol
LogP1.69
Rot. Bonds2

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

6-ethenyl-5-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-3-ol (PubChem CID 164603367) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 6-ethenyl-5-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name6-ethenyl-5-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-3-ol
PubChem CID164603367
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name6-ethenyl-5-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-3-ol
SMILESC=CC1=C(C(=C)F)CC(O)CO1
InChIInChI=1S/C9H11FO2/c1-3-9-8(6(2)10)4-7(11)5-12-9/h3,7,11H,1-2,4-5H2
InChIKeyRWMUTVZMFQATLP-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-5-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-3-ol?
The IUPAC name of 6-ethenyl-5-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-3-ol (CID 164603367) is 6-ethenyl-5-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-3-ol.
What is the SMILES notation for 6-ethenyl-5-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-3-ol?
The canonical SMILES for 6-ethenyl-5-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-3-ol is C=CC1=C(C(=C)F)CC(O)CO1.
What is the InChIKey of 6-ethenyl-5-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-3-ol?
The InChIKey is RWMUTVZMFQATLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2/c1-3-9-8(6(2)10)4-7(11)5-12-9/h3,7,11H,1-2,4-5H2.
What are the key properties of 6-ethenyl-5-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-3-ol?
6-ethenyl-5-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-3-ol has a molecular weight of 170.18 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 164603367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).