1-chloro-2-fluoroethanol

C2H4ClFO — CID 54051411

IUPAC1-chloro-2-fluoroethanol
SMILESOC(Cl)CF
InChIInChI=1S/C2H4ClFO/c3-2(5)1-4/h2,5H,1H2
InChIKeyWERQLXPXJVIDLF-UHFFFAOYSA-N
MW98.50 g/mol
LogP0.51
Rot. Bonds1

About 1-chloro-2-fluoroethanol

1-chloro-2-fluoroethanol (PubChem CID 54051411) has the molecular formula C2H4ClFO and a molecular weight of 98.50 g/mol. Its IUPAC name is 1-chloro-2-fluoroethanol.

Molecular Properties

Compound Name1-chloro-2-fluoroethanol
PubChem CID54051411
Molecular FormulaC2H4ClFO
Molecular Weight98.50 g/mol
Exact Mass97.99
IUPAC Name1-chloro-2-fluoroethanol
SMILESOC(Cl)CF
InChIInChI=1S/C2H4ClFO/c3-2(5)1-4/h2,5H,1H2
InChIKeyWERQLXPXJVIDLF-UHFFFAOYSA-N
XLogP0.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.50
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoroethanol?
The IUPAC name of 1-chloro-2-fluoroethanol (CID 54051411) is 1-chloro-2-fluoroethanol.
What is the SMILES notation for 1-chloro-2-fluoroethanol?
The canonical SMILES for 1-chloro-2-fluoroethanol is OC(Cl)CF.
What is the InChIKey of 1-chloro-2-fluoroethanol?
The InChIKey is WERQLXPXJVIDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4ClFO/c3-2(5)1-4/h2,5H,1H2.
What are the key properties of 1-chloro-2-fluoroethanol?
1-chloro-2-fluoroethanol has a molecular weight of 98.50 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoroethanol is sourced from PubChem (CID 54051411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).