2-[4-[1-(2,4-difluorophenyl)ethyl]morpholin-2-yl]acetic acid

C14H17F2NO3 — CID 66435876

IUPAC2-[4-[1-(2,4-difluorophenyl)ethyl]morpholin-2-yl]acetic acid
SMILESCC(c1ccc(F)cc1F)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H17F2NO3/c1-9(12-3-2-10(15)6-13(12)16)17-4-5-20-11(8-17)7-14(18)19/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyAWMCVBQERFTRPC-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.20
Rot. Bonds4

About 2-[4-[1-(2,4-difluorophenyl)ethyl]morpholin-2-yl]acetic acid

2-[4-[1-(2,4-difluorophenyl)ethyl]morpholin-2-yl]acetic acid (PubChem CID 66435876) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-[4-[1-(2,4-difluorophenyl)ethyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(2,4-difluorophenyl)ethyl]morpholin-2-yl]acetic acid
PubChem CID66435876
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name2-[4-[1-(2,4-difluorophenyl)ethyl]morpholin-2-yl]acetic acid
SMILESCC(c1ccc(F)cc1F)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H17F2NO3/c1-9(12-3-2-10(15)6-13(12)16)17-4-5-20-11(8-17)7-14(18)19/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyAWMCVBQERFTRPC-UHFFFAOYSA-N
XLogP2.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(2,5-dichlorophenyl)ethyl]morpholin-2-yl]acetic acid
CID 66433750
2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid
CID 114834819
[4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine
CID 114394882
2-[4-[1-(4-bromophenyl)ethyl]morpholin-2-yl]acetic acid
CID 66433752
2-[4-[1-(3-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid
CID 66434887
1-[1-(2,4-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904479
3-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]propanoic acid
CID 65072375
2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid
CID 66435102
4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 107014520
2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid
CID 65065329
2-[(2S)-4-[(2R)-2-(3-fluorophenoxy)propanoyl]morpholin-2-yl]acetic acid
CID 125118657
4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxylic acid
CID 65067273

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2,4-difluorophenyl)ethyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[1-(2,4-difluorophenyl)ethyl]morpholin-2-yl]acetic acid (CID 66435876) is 2-[4-[1-(2,4-difluorophenyl)ethyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-(2,4-difluorophenyl)ethyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[1-(2,4-difluorophenyl)ethyl]morpholin-2-yl]acetic acid is CC(c1ccc(F)cc1F)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[1-(2,4-difluorophenyl)ethyl]morpholin-2-yl]acetic acid?
The InChIKey is AWMCVBQERFTRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c1-9(12-3-2-10(15)6-13(12)16)17-4-5-20-11(8-17)7-14(18)19/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,18,19).
What are the key properties of 2-[4-[1-(2,4-difluorophenyl)ethyl]morpholin-2-yl]acetic acid?
2-[4-[1-(2,4-difluorophenyl)ethyl]morpholin-2-yl]acetic acid has a molecular weight of 285.29 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2,4-difluorophenyl)ethyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66435876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).