4-(2-fluoroethyl)pyran-4-ol

C7H9FO2 — CID 56980362

IUPAC4-(2-fluoroethyl)pyran-4-ol
SMILESOC1(CCF)C=COC=C1
InChIInChI=1S/C7H9FO2/c8-4-1-7(9)2-5-10-6-3-7/h2-3,5-6,9H,1,4H2
InChIKeyLUVQSRJKVGTVJC-UHFFFAOYSA-N
MW144.15 g/mol
LogP1.13
Rot. Bonds2

About 4-(2-fluoroethyl)pyran-4-ol

4-(2-fluoroethyl)pyran-4-ol (PubChem CID 56980362) has the molecular formula C7H9FO2 and a molecular weight of 144.15 g/mol. Its IUPAC name is 4-(2-fluoroethyl)pyran-4-ol.

Molecular Properties

Compound Name4-(2-fluoroethyl)pyran-4-ol
PubChem CID56980362
Molecular FormulaC7H9FO2
Molecular Weight144.15 g/mol
Exact Mass144.06
IUPAC Name4-(2-fluoroethyl)pyran-4-ol
SMILESOC1(CCF)C=COC=C1
InChIInChI=1S/C7H9FO2/c8-4-1-7(9)2-5-10-6-3-7/h2-3,5-6,9H,1,4H2
InChIKeyLUVQSRJKVGTVJC-UHFFFAOYSA-N
XLogP1.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)pyran-4-ol?
The IUPAC name of 4-(2-fluoroethyl)pyran-4-ol (CID 56980362) is 4-(2-fluoroethyl)pyran-4-ol.
What is the SMILES notation for 4-(2-fluoroethyl)pyran-4-ol?
The canonical SMILES for 4-(2-fluoroethyl)pyran-4-ol is OC1(CCF)C=COC=C1.
What is the InChIKey of 4-(2-fluoroethyl)pyran-4-ol?
The InChIKey is LUVQSRJKVGTVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO2/c8-4-1-7(9)2-5-10-6-3-7/h2-3,5-6,9H,1,4H2.
What are the key properties of 4-(2-fluoroethyl)pyran-4-ol?
4-(2-fluoroethyl)pyran-4-ol has a molecular weight of 144.15 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)pyran-4-ol is sourced from PubChem (CID 56980362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).