2-[(3-ethylmorpholin-4-yl)methyl]-4-fluorobenzoic acid

C14H18FNO3 — CID 114014611

IUPAC2-[(3-ethylmorpholin-4-yl)methyl]-4-fluorobenzoic acid
SMILESCCC1COCCN1Cc1cc(F)ccc1C(=O)O
InChIInChI=1S/C14H18FNO3/c1-2-12-9-19-6-5-16(12)8-10-7-11(15)3-4-13(10)14(17)18/h3-4,7,12H,2,5-6,8-9H2,1H3,(H,17,18)
InChIKeyJEMLAPRQTHPMBW-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.13
Rot. Bonds4

About 2-[(3-ethylmorpholin-4-yl)methyl]-4-fluorobenzoic acid

2-[(3-ethylmorpholin-4-yl)methyl]-4-fluorobenzoic acid (PubChem CID 114014611) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[(3-ethylmorpholin-4-yl)methyl]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(3-ethylmorpholin-4-yl)methyl]-4-fluorobenzoic acid
PubChem CID114014611
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-[(3-ethylmorpholin-4-yl)methyl]-4-fluorobenzoic acid
SMILESCCC1COCCN1Cc1cc(F)ccc1C(=O)O
InChIInChI=1S/C14H18FNO3/c1-2-12-9-19-6-5-16(12)8-10-7-11(15)3-4-13(10)14(17)18/h3-4,7,12H,2,5-6,8-9H2,1H3,(H,17,18)
InChIKeyJEMLAPRQTHPMBW-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-fluorobenzoic acid
CID 107907776
2-[(2-ethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid
CID 107907513
4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid
CID 106793496
2-[(3-ethylmorpholin-4-yl)methyl]furan-3-carboxylic acid
CID 43613412
4-[(4-bromo-2-fluorophenyl)methyl]-3-ethylmorpholine
CID 54971347
2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid
CID 61201654
1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]ethanone
CID 43613288
N-(2-amino-5-fluorophenyl)-2-(3-ethylmorpholin-4-yl)acetamide
CID 43612167
2-ethyl-4-fluorobenzoic acid
CID 22101376
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
methyl 4-[(5-fluoro-2-methylphenyl)methyl]morpholine-3-carboxylate
CID 115970488
2-(3-ethylmorpholin-4-yl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565155

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylmorpholin-4-yl)methyl]-4-fluorobenzoic acid?
The IUPAC name of 2-[(3-ethylmorpholin-4-yl)methyl]-4-fluorobenzoic acid (CID 114014611) is 2-[(3-ethylmorpholin-4-yl)methyl]-4-fluorobenzoic acid.
What is the SMILES notation for 2-[(3-ethylmorpholin-4-yl)methyl]-4-fluorobenzoic acid?
The canonical SMILES for 2-[(3-ethylmorpholin-4-yl)methyl]-4-fluorobenzoic acid is CCC1COCCN1Cc1cc(F)ccc1C(=O)O.
What is the InChIKey of 2-[(3-ethylmorpholin-4-yl)methyl]-4-fluorobenzoic acid?
The InChIKey is JEMLAPRQTHPMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-2-12-9-19-6-5-16(12)8-10-7-11(15)3-4-13(10)14(17)18/h3-4,7,12H,2,5-6,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[(3-ethylmorpholin-4-yl)methyl]-4-fluorobenzoic acid?
2-[(3-ethylmorpholin-4-yl)methyl]-4-fluorobenzoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylmorpholin-4-yl)methyl]-4-fluorobenzoic acid is sourced from PubChem (CID 114014611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).