5-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid

C16H16FNO3S — CID 138003841

IUPAC5-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCOC(c3cccc(F)c3)C2)s1
InChIInChI=1S/C16H16FNO3S/c17-12-3-1-2-11(8-12)14-10-18(6-7-21-14)9-13-4-5-15(22-13)16(19)20/h1-5,8,14H,6-7,9-10H2,(H,19,20)
InChIKeyXZVZMLQPSDEQIB-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.16
Rot. Bonds4

About 5-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid

5-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid (PubChem CID 138003841) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is 5-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
PubChem CID138003841
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC Name5-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCOC(c3cccc(F)c3)C2)s1
InChIInChI=1S/C16H16FNO3S/c17-12-3-1-2-11(8-12)14-10-18(6-7-21-14)9-13-4-5-15(22-13)16(19)20/h1-5,8,14H,6-7,9-10H2,(H,19,20)
InChIKeyXZVZMLQPSDEQIB-UHFFFAOYSA-N
XLogP3.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid
CID 124606773
4-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-fluorophenyl)morpholine
CID 86795528
[2-(3-fluorophenyl)morpholin-4-yl]methyl-trimethylsilane
CID 86902020
1-(4-fluorophenyl)-2-[2-(3-fluorophenyl)morpholin-4-yl]ethanol
CID 110928538
(1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride
CID 119770397
4-[[(2R)-2-(3-fluorophenyl)morpholin-4-yl]methyl]-2-methoxyphenol
CID 124614792
4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
CID 119183981
3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907
2-(3-fluorophenyl)-4-methylmorpholine
CID 77271439
1-[2-(3-fluorophenyl)morpholin-4-yl]-3-phenoxypropan-2-ol;hydrochloride
CID 138958982
1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone
CID 111432690
3-fluoro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892619

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid (CID 138003841) is 5-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(CN2CCOC(c3cccc(F)c3)C2)s1.
What is the InChIKey of 5-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid?
The InChIKey is XZVZMLQPSDEQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S/c17-12-3-1-2-11(8-12)14-10-18(6-7-21-14)9-13-4-5-15(22-13)16(19)20/h1-5,8,14H,6-7,9-10H2,(H,19,20).
What are the key properties of 5-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid?
5-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid has a molecular weight of 321.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 138003841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).