2-(3-fluorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride

C12H15ClFNO3 — CID 54595616

IUPAC2-(3-fluorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride
SMILESCl.O=C(O)C(c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C12H14FNO3.ClH/c13-10-3-1-2-9(8-10)11(12(15)16)14-4-6-17-7-5-14;/h1-3,8,11H,4-7H2,(H,15,16);1H
InChIKeyCCGLZCUGDKNDNI-UHFFFAOYSA-N
MW275.71 g/mol
LogP1.71
Rot. Bonds3

About 2-(3-fluorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride

2-(3-fluorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride (PubChem CID 54595616) has the molecular formula C12H15ClFNO3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride
PubChem CID54595616
Molecular FormulaC12H15ClFNO3
Molecular Weight275.71 g/mol
Exact Mass275.07
IUPAC Name2-(3-fluorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride
SMILESCl.O=C(O)C(c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C12H14FNO3.ClH/c13-10-3-1-2-9(8-10)11(12(15)16)14-4-6-17-7-5-14;/h1-3,8,11H,4-7H2,(H,15,16);1H
InChIKeyCCGLZCUGDKNDNI-UHFFFAOYSA-N
XLogP1.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride?
The IUPAC name of 2-(3-fluorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride (CID 54595616) is 2-(3-fluorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride.
What is the SMILES notation for 2-(3-fluorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride?
The canonical SMILES for 2-(3-fluorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride is Cl.O=C(O)C(c1cccc(F)c1)N1CCOCC1.
What is the InChIKey of 2-(3-fluorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride?
The InChIKey is CCGLZCUGDKNDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3.ClH/c13-10-3-1-2-9(8-10)11(12(15)16)14-4-6-17-7-5-14;/h1-3,8,11H,4-7H2,(H,15,16);1H.
What are the key properties of 2-(3-fluorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride?
2-(3-fluorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride has a molecular weight of 275.71 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-morpholin-4-ylacetic acid;hydrochloride is sourced from PubChem (CID 54595616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).