(2-carboxy-2-fluoroethyl)azanium chloride

C3H7ClFNO2 — CID 13350

IUPAC(2-carboxy-2-fluoroethyl)azanium chloride
SMILES[Cl-].[NH3+]CC(F)C(=O)O
InChIInChI=1S/C3H6FNO2.ClH/c4-2(1-5)3(6)7;/h2H,1,5H2,(H,6,7);1H
InChIKeyCVYOZQFAVJXJTK-UHFFFAOYSA-N
MW143.55 g/mol
LogP-4.34
Rot. Bonds2

About (2-carboxy-2-fluoroethyl)azanium chloride

(2-carboxy-2-fluoroethyl)azanium chloride (PubChem CID 13350) has the molecular formula C3H7ClFNO2 and a molecular weight of 143.55 g/mol. Its IUPAC name is (2-carboxy-2-fluoroethyl)azanium chloride.

Molecular Properties

Compound Name(2-carboxy-2-fluoroethyl)azanium chloride
PubChem CID13350
Molecular FormulaC3H7ClFNO2
Molecular Weight143.55 g/mol
Exact Mass143.01
IUPAC Name(2-carboxy-2-fluoroethyl)azanium chloride
SMILES[Cl-].[NH3+]CC(F)C(=O)O
InChIInChI=1S/C3H6FNO2.ClH/c4-2(1-5)3(6)7;/h2H,1,5H2,(H,6,7);1H
InChIKeyCVYOZQFAVJXJTK-UHFFFAOYSA-N
XLogP-4.34
TPSA64.94 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.55
LogP ≤ 5-4.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-carboxy-2-fluoroethyl)azanium chloride?
The IUPAC name of (2-carboxy-2-fluoroethyl)azanium chloride (CID 13350) is (2-carboxy-2-fluoroethyl)azanium chloride.
What is the SMILES notation for (2-carboxy-2-fluoroethyl)azanium chloride?
The canonical SMILES for (2-carboxy-2-fluoroethyl)azanium chloride is [Cl-].[NH3+]CC(F)C(=O)O.
What is the InChIKey of (2-carboxy-2-fluoroethyl)azanium chloride?
The InChIKey is CVYOZQFAVJXJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FNO2.ClH/c4-2(1-5)3(6)7;/h2H,1,5H2,(H,6,7);1H.
What are the key properties of (2-carboxy-2-fluoroethyl)azanium chloride?
(2-carboxy-2-fluoroethyl)azanium chloride has a molecular weight of 143.55 g/mol, XLogP of -4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carboxy-2-fluoroethyl)azanium chloride is sourced from PubChem (CID 13350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).