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

C16H15ClFNO4 — CID 154746798

IUPAC5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CN2CCOC(c3ccc(F)cc3Cl)C2)c1
InChIInChI=1S/C16H15ClFNO4/c17-14-6-11(18)1-2-13(14)15-8-19(3-4-22-15)7-12-5-10(9-23-12)16(20)21/h1-2,5-6,9,15H,3-4,7-8H2,(H,20,21)
InChIKeyGUNYXPNTTIBDMO-UHFFFAOYSA-N
MW339.75 g/mol
LogP3.34
Rot. Bonds4

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

5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]furan-3-carboxylic acid (PubChem CID 154746798) has the molecular formula C16H15ClFNO4 and a molecular weight of 339.75 g/mol. Its IUPAC name is 5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]furan-3-carboxylic acid
PubChem CID154746798
Molecular FormulaC16H15ClFNO4
Molecular Weight339.75 g/mol
Exact Mass339.07
IUPAC Name5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CN2CCOC(c3ccc(F)cc3Cl)C2)c1
InChIInChI=1S/C16H15ClFNO4/c17-14-6-11(18)1-2-13(14)15-8-19(3-4-22-15)7-12-5-10(9-23-12)16(20)21/h1-2,5-6,9,15H,3-4,7-8H2,(H,20,21)
InChIKeyGUNYXPNTTIBDMO-UHFFFAOYSA-N
XLogP3.34
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.75
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-chloro-4-fluorophenyl)-4-(2-ethylsulfonylethyl)morpholine
CID 124619802
(2R)-2-(2-chloro-4-fluorophenyl)-4-(1,3-thiazol-4-ylmethyl)morpholine
CID 124619828
(2S)-2-(2-chloro-4-fluorophenyl)-4-(thiadiazol-4-ylmethyl)morpholine
CID 124619492
5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904693
2-[[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]pyrimidin-4-amine
CID 124619849
(2R)-2-(2-chloro-4-fluorophenyl)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 124619834
5-[(2-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid
CID 62267976
3-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]benzoic acid
CID 122034855
5-[(3,4-dimethylpiperazin-1-yl)methyl]furan-3-carboxylic acid
CID 63608514
5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid
CID 112626150
2-[[2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one
CID 56919206
N-[4-[2-(2-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]prop-2-enamide
CID 166411739

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]furan-3-carboxylic acid (CID 154746798) is 5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]furan-3-carboxylic acid is O=C(O)c1coc(CN2CCOC(c3ccc(F)cc3Cl)C2)c1.
What is the InChIKey of 5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]furan-3-carboxylic acid?
The InChIKey is GUNYXPNTTIBDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO4/c17-14-6-11(18)1-2-13(14)15-8-19(3-4-22-15)7-12-5-10(9-23-12)16(20)21/h1-2,5-6,9,15H,3-4,7-8H2,(H,20,21).
What are the key properties of 5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]furan-3-carboxylic acid?
5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]furan-3-carboxylic acid has a molecular weight of 339.75 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 154746798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).