2-fluoroacetic acid;hydrochloride

C2H4ClFO2 — CID 87782456

IUPAC2-fluoroacetic acid;hydrochloride
SMILESCl.O=C(O)CF
InChIInChI=1S/C2H3FO2.ClH/c3-1-2(4)5;/h1H2,(H,4,5);1H
InChIKeyXECFZCZBDBNECM-UHFFFAOYSA-N
MW114.50 g/mol
LogP0.46
Rot. Bonds1

About 2-fluoroacetic acid;hydrochloride

2-fluoroacetic acid;hydrochloride (PubChem CID 87782456) has the molecular formula C2H4ClFO2 and a molecular weight of 114.50 g/mol. Its IUPAC name is 2-fluoroacetic acid;hydrochloride.

Molecular Properties

Compound Name2-fluoroacetic acid;hydrochloride
PubChem CID87782456
Molecular FormulaC2H4ClFO2
Molecular Weight114.50 g/mol
Exact Mass113.99
IUPAC Name2-fluoroacetic acid;hydrochloride
SMILESCl.O=C(O)CF
InChIInChI=1S/C2H3FO2.ClH/c3-1-2(4)5;/h1H2,(H,4,5);1H
InChIKeyXECFZCZBDBNECM-UHFFFAOYSA-N
XLogP0.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.50
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 160781746
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CID 139667830

Frequently Asked Questions

What is the IUPAC name of 2-fluoroacetic acid;hydrochloride?
The IUPAC name of 2-fluoroacetic acid;hydrochloride (CID 87782456) is 2-fluoroacetic acid;hydrochloride.
What is the SMILES notation for 2-fluoroacetic acid;hydrochloride?
The canonical SMILES for 2-fluoroacetic acid;hydrochloride is Cl.O=C(O)CF.
What is the InChIKey of 2-fluoroacetic acid;hydrochloride?
The InChIKey is XECFZCZBDBNECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3FO2.ClH/c3-1-2(4)5;/h1H2,(H,4,5);1H.
What are the key properties of 2-fluoroacetic acid;hydrochloride?
2-fluoroacetic acid;hydrochloride has a molecular weight of 114.50 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroacetic acid;hydrochloride is sourced from PubChem (CID 87782456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).