5-[2-(2-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid

C16H14FNO4S — CID 119183971

IUPAC5-[2-(2-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCOC(c3ccccc3F)C2)s1
InChIInChI=1S/C16H14FNO4S/c17-11-4-2-1-3-10(11)12-9-18(7-8-22-12)15(19)13-5-6-14(23-13)16(20)21/h1-6,12H,7-9H2,(H,20,21)
InChIKeyZVKXPJAEEVTLBB-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.80
Rot. Bonds3

About 5-[2-(2-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid

5-[2-(2-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid (PubChem CID 119183971) has the molecular formula C16H14FNO4S and a molecular weight of 335.36 g/mol. Its IUPAC name is 5-[2-(2-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
PubChem CID119183971
Molecular FormulaC16H14FNO4S
Molecular Weight335.36 g/mol
Exact Mass335.06
IUPAC Name5-[2-(2-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCOC(c3ccccc3F)C2)s1
InChIInChI=1S/C16H14FNO4S/c17-11-4-2-1-3-10(11)12-9-18(7-8-22-12)15(19)13-5-6-14(23-13)16(20)21/h1-6,12H,7-9H2,(H,20,21)
InChIKeyZVKXPJAEEVTLBB-UHFFFAOYSA-N
XLogP2.80
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-fluorophenyl)morpholine-4-carbonyl]-3H-1,3-thiazol-2-one
CID 136532193
(4-chlorophenyl)-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 110326668
5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119183890
[2-(2-fluorophenyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 84510735
trans-(1R,2R)-2-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 125132103
[4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 119315888
cyclopentyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 71684127
2-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663780
(4-fluoro-1-benzothiophen-2-yl)-(2-phenylmorpholin-4-yl)methanone
CID 43057357
(5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 42949375
1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione
CID 110416386
[(2S)-2-(2-fluorophenyl)morpholin-4-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 124699072

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-(2-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid (CID 119183971) is 5-[2-(2-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-(2-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-(2-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)N2CCOC(c3ccccc3F)C2)s1.
What is the InChIKey of 5-[2-(2-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid?
The InChIKey is ZVKXPJAEEVTLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO4S/c17-11-4-2-1-3-10(11)12-9-18(7-8-22-12)15(19)13-5-6-14(23-13)16(20)21/h1-6,12H,7-9H2,(H,20,21).
What are the key properties of 5-[2-(2-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid?
5-[2-(2-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 119183971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).