2,2-difluoro-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetic acid

C18H19F2NO4 — CID 59379811

IUPAC2,2-difluoro-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetic acid
SMILESO=C(O)C(F)(F)c1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C18H19F2NO4/c19-18(20,17(22)23)15-5-6-16(14-4-2-1-3-13(14)15)25-12-9-21-7-10-24-11-8-21/h1-6H,7-12H2,(H,22,23)
InChIKeyMMGZCKRPURHGPU-UHFFFAOYSA-N
MW351.35 g/mol
LogP2.73
Rot. Bonds6

About 2,2-difluoro-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetic acid

2,2-difluoro-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetic acid (PubChem CID 59379811) has the molecular formula C18H19F2NO4 and a molecular weight of 351.35 g/mol. Its IUPAC name is 2,2-difluoro-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetic acid
PubChem CID59379811
Molecular FormulaC18H19F2NO4
Molecular Weight351.35 g/mol
Exact Mass351.13
IUPAC Name2,2-difluoro-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetic acid
SMILESO=C(O)C(F)(F)c1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C18H19F2NO4/c19-18(20,17(22)23)15-5-6-16(14-4-2-1-3-13(14)15)25-12-9-21-7-10-24-11-8-21/h1-6H,7-12H2,(H,22,23)
InChIKeyMMGZCKRPURHGPU-UHFFFAOYSA-N
XLogP2.73
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987
1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione
CID 58262575
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]morpholine
CID 868523
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl] cyanate
CID 143015562
N-(2-tert-butylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 58262613
4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine
CID 11991204
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
3-fluoro-4-(2-morpholin-4-ylethoxy)benzoic acid
CID 107689816
1-tert-butyl-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,2,4-triazolidine-3,5-dione
CID 11464077
2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 44588777
N-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 24965753
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide
CID 67091339

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetic acid?
The IUPAC name of 2,2-difluoro-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetic acid (CID 59379811) is 2,2-difluoro-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetic acid.
What is the SMILES notation for 2,2-difluoro-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetic acid?
The canonical SMILES for 2,2-difluoro-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetic acid is O=C(O)C(F)(F)c1ccc(OCCN2CCOCC2)c2ccccc12.
What is the InChIKey of 2,2-difluoro-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetic acid?
The InChIKey is MMGZCKRPURHGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO4/c19-18(20,17(22)23)15-5-6-16(14-4-2-1-3-13(14)15)25-12-9-21-7-10-24-11-8-21/h1-6H,7-12H2,(H,22,23).
What are the key properties of 2,2-difluoro-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetic acid?
2,2-difluoro-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetic acid has a molecular weight of 351.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetic acid is sourced from PubChem (CID 59379811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).