2-(azetidin-3-yl)-2-fluoroacetic acid;hydrochloride

C5H9ClFNO2 — CID 134163173

IUPAC2-(azetidin-3-yl)-2-fluoroacetic acid;hydrochloride
SMILESCl.O=C(O)C(F)C1CNC1
InChIInChI=1S/C5H8FNO2.ClH/c6-4(5(8)9)3-1-7-2-3;/h3-4,7H,1-2H2,(H,8,9);1H
InChIKeyNGORBPHGMXCHJY-UHFFFAOYSA-N
MW169.58 g/mol
LogP0.05
Rot. Bonds2

About 2-(azetidin-3-yl)-2-fluoroacetic acid;hydrochloride

2-(azetidin-3-yl)-2-fluoroacetic acid;hydrochloride (PubChem CID 134163173) has the molecular formula C5H9ClFNO2 and a molecular weight of 169.58 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-2-fluoroacetic acid;hydrochloride.

Molecular Properties

Compound Name2-(azetidin-3-yl)-2-fluoroacetic acid;hydrochloride
PubChem CID134163173
Molecular FormulaC5H9ClFNO2
Molecular Weight169.58 g/mol
Exact Mass169.03
IUPAC Name2-(azetidin-3-yl)-2-fluoroacetic acid;hydrochloride
SMILESCl.O=C(O)C(F)C1CNC1
InChIInChI=1S/C5H8FNO2.ClH/c6-4(5(8)9)3-1-7-2-3;/h3-4,7H,1-2H2,(H,8,9);1H
InChIKeyNGORBPHGMXCHJY-UHFFFAOYSA-N
XLogP0.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.58
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Azetidineacetic acid
CID 11768547
2-(Azetidin-3-yl)acetic acid; trifluoroacetic acid
CID 67112606
2-(Azetidin-3-yl)propanoic acid; trifluoroacetic acid
CID 75478612
2-(Azetidin-3-yl)propanoic acid
CID 75478613
2-(Azetidin-3-yl)acetic acid;methyl 2,2,2-trifluoroacetate
CID 160756036
2-(Azetidin-3-yl)-2-fluoroacetic acid
CID 105427707
2-(Azetidin-3-yl)-2,2-difluoroacetic acid
CID 105429494
2-(3-Fluoroazetidin-3-yl)acetic acid
CID 115011263
Methyl 2-(azetidin-3-yl)-2-fluoroacetate
CID 131343495
2-Methyl-4-(methylamino)butanoic acid
CID 55286236
2-(Azetidin-3-yl)acetic acid hydrochloride
CID 66615016
2-(Azetidin-3-yl)-2-methylpropanoic acid
CID 84080244

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-2-fluoroacetic acid;hydrochloride?
The IUPAC name of 2-(azetidin-3-yl)-2-fluoroacetic acid;hydrochloride (CID 134163173) is 2-(azetidin-3-yl)-2-fluoroacetic acid;hydrochloride.
What is the SMILES notation for 2-(azetidin-3-yl)-2-fluoroacetic acid;hydrochloride?
The canonical SMILES for 2-(azetidin-3-yl)-2-fluoroacetic acid;hydrochloride is Cl.O=C(O)C(F)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-2-fluoroacetic acid;hydrochloride?
The InChIKey is NGORBPHGMXCHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO2.ClH/c6-4(5(8)9)3-1-7-2-3;/h3-4,7H,1-2H2,(H,8,9);1H.
What are the key properties of 2-(azetidin-3-yl)-2-fluoroacetic acid;hydrochloride?
2-(azetidin-3-yl)-2-fluoroacetic acid;hydrochloride has a molecular weight of 169.58 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-2-fluoroacetic acid;hydrochloride is sourced from PubChem (CID 134163173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).