1-chloro-2-fluoroethane-1,2-diol

C2H4ClFO2 — CID 57480921

IUPAC1-chloro-2-fluoroethane-1,2-diol
SMILESOC(F)C(O)Cl
InChIInChI=1S/C2H4ClFO2/c3-1(5)2(4)6/h1-2,5-6H
InChIKeyZWIXARMXCVCVBR-UHFFFAOYSA-N
MW114.50 g/mol
LogP-0.17
Rot. Bonds1

About 1-chloro-2-fluoroethane-1,2-diol

1-chloro-2-fluoroethane-1,2-diol (PubChem CID 57480921) has the molecular formula C2H4ClFO2 and a molecular weight of 114.50 g/mol. Its IUPAC name is 1-chloro-2-fluoroethane-1,2-diol.

Molecular Properties

Compound Name1-chloro-2-fluoroethane-1,2-diol
PubChem CID57480921
Molecular FormulaC2H4ClFO2
Molecular Weight114.50 g/mol
Exact Mass113.99
IUPAC Name1-chloro-2-fluoroethane-1,2-diol
SMILESOC(F)C(O)Cl
InChIInChI=1S/C2H4ClFO2/c3-1(5)2(4)6/h1-2,5-6H
InChIKeyZWIXARMXCVCVBR-UHFFFAOYSA-N
XLogP-0.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.50
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-2-fluoroethan-1-ol
CID 18517415
Ethylene glycol monochloride
CID 21102326
1-Chloro-1-fluoroethane-1,2-diol
CID 20229728
2-Chloro-1-fluoroethanol
CID 21616667
2-Chloro-1,1-difluoroethane-1,2-diol
CID 54064876
1-Chloro-2-(difluoromethoxy)-2-fluoroethanol
CID 174992444
(2S)-2-chloro-2-fluoroethanol
CID 101919329
(2R)-2-chloro-2-fluoroethanol
CID 101919330
(1-Chloro-2-hydroxyethyl) hypochlorite
CID 156767901
CID 162334372
CID 162334372
(1R)-1-chloroethane-1,2-diol
CID 173477166
(1S)-1-chloroethane-1,2-diol
CID 173485345

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoroethane-1,2-diol?
The IUPAC name of 1-chloro-2-fluoroethane-1,2-diol (CID 57480921) is 1-chloro-2-fluoroethane-1,2-diol.
What is the SMILES notation for 1-chloro-2-fluoroethane-1,2-diol?
The canonical SMILES for 1-chloro-2-fluoroethane-1,2-diol is OC(F)C(O)Cl.
What is the InChIKey of 1-chloro-2-fluoroethane-1,2-diol?
The InChIKey is ZWIXARMXCVCVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4ClFO2/c3-1(5)2(4)6/h1-2,5-6H.
What are the key properties of 1-chloro-2-fluoroethane-1,2-diol?
1-chloro-2-fluoroethane-1,2-diol has a molecular weight of 114.50 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoroethane-1,2-diol is sourced from PubChem (CID 57480921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).