2-(1,2-dihydroxyethyl)-3-(fluoromethyl)-4-hydroxy-2H-furan-5-one

C7H9FO5 — CID 89087993

IUPAC2-(1,2-dihydroxyethyl)-3-(fluoromethyl)-4-hydroxy-2H-furan-5-one
SMILESO=C1OC(C(O)CO)C(CF)=C1O
InChIInChI=1S/C7H9FO5/c8-1-3-5(11)7(12)13-6(3)4(10)2-9/h4,6,9-11H,1-2H2
InChIKeyYRMWNKOJHZMXMF-UHFFFAOYSA-N
MW192.14 g/mol
LogP-0.95
Rot. Bonds3

About 2-(1,2-dihydroxyethyl)-3-(fluoromethyl)-4-hydroxy-2H-furan-5-one

2-(1,2-dihydroxyethyl)-3-(fluoromethyl)-4-hydroxy-2H-furan-5-one (PubChem CID 89087993) has the molecular formula C7H9FO5 and a molecular weight of 192.14 g/mol. Its IUPAC name is 2-(1,2-dihydroxyethyl)-3-(fluoromethyl)-4-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name2-(1,2-dihydroxyethyl)-3-(fluoromethyl)-4-hydroxy-2H-furan-5-one
PubChem CID89087993
Molecular FormulaC7H9FO5
Molecular Weight192.14 g/mol
Exact Mass192.04
IUPAC Name2-(1,2-dihydroxyethyl)-3-(fluoromethyl)-4-hydroxy-2H-furan-5-one
SMILESO=C1OC(C(O)CO)C(CF)=C1O
InChIInChI=1S/C7H9FO5/c8-1-3-5(11)7(12)13-6(3)4(10)2-9/h4,6,9-11H,1-2H2
InChIKeyYRMWNKOJHZMXMF-UHFFFAOYSA-N
XLogP-0.95
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroxyethyl)-3-(fluoromethyl)-4-hydroxy-2H-furan-5-one?
The IUPAC name of 2-(1,2-dihydroxyethyl)-3-(fluoromethyl)-4-hydroxy-2H-furan-5-one (CID 89087993) is 2-(1,2-dihydroxyethyl)-3-(fluoromethyl)-4-hydroxy-2H-furan-5-one.
What is the SMILES notation for 2-(1,2-dihydroxyethyl)-3-(fluoromethyl)-4-hydroxy-2H-furan-5-one?
The canonical SMILES for 2-(1,2-dihydroxyethyl)-3-(fluoromethyl)-4-hydroxy-2H-furan-5-one is O=C1OC(C(O)CO)C(CF)=C1O.
What is the InChIKey of 2-(1,2-dihydroxyethyl)-3-(fluoromethyl)-4-hydroxy-2H-furan-5-one?
The InChIKey is YRMWNKOJHZMXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO5/c8-1-3-5(11)7(12)13-6(3)4(10)2-9/h4,6,9-11H,1-2H2.
What are the key properties of 2-(1,2-dihydroxyethyl)-3-(fluoromethyl)-4-hydroxy-2H-furan-5-one?
2-(1,2-dihydroxyethyl)-3-(fluoromethyl)-4-hydroxy-2H-furan-5-one has a molecular weight of 192.14 g/mol, XLogP of -0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroxyethyl)-3-(fluoromethyl)-4-hydroxy-2H-furan-5-one is sourced from PubChem (CID 89087993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).