1-fluoroethane-1,2-diol

C2H5FO2 — CID 19906354

IUPAC1-fluoroethane-1,2-diol
SMILESOCC(O)F
InChIInChI=1S/C2H5FO2/c3-2(5)1-4/h2,4-5H,1H2
InChIKeyQNVQPXNRAJFKQV-UHFFFAOYSA-N
MW80.06 g/mol
LogP-0.73
Rot. Bonds1

About 1-fluoroethane-1,2-diol

1-fluoroethane-1,2-diol (PubChem CID 19906354) has the molecular formula C2H5FO2 and a molecular weight of 80.06 g/mol. Its IUPAC name is 1-fluoroethane-1,2-diol.

Molecular Properties

Compound Name1-fluoroethane-1,2-diol
PubChem CID19906354
Molecular FormulaC2H5FO2
Molecular Weight80.06 g/mol
Exact Mass80.03
IUPAC Name1-fluoroethane-1,2-diol
SMILESOCC(O)F
InChIInChI=1S/C2H5FO2/c3-2(5)1-4/h2,4-5H,1H2
InChIKeyQNVQPXNRAJFKQV-UHFFFAOYSA-N
XLogP-0.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.06
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoroethane-1,2-diol?
The IUPAC name of 1-fluoroethane-1,2-diol (CID 19906354) is 1-fluoroethane-1,2-diol.
What is the SMILES notation for 1-fluoroethane-1,2-diol?
The canonical SMILES for 1-fluoroethane-1,2-diol is OCC(O)F.
What is the InChIKey of 1-fluoroethane-1,2-diol?
The InChIKey is QNVQPXNRAJFKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5FO2/c3-2(5)1-4/h2,4-5H,1H2.
What are the key properties of 1-fluoroethane-1,2-diol?
1-fluoroethane-1,2-diol has a molecular weight of 80.06 g/mol, XLogP of -0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroethane-1,2-diol is sourced from PubChem (CID 19906354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).