2-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]-2-(2-fluorophenyl)acetic acid

C19H18F3NO4 — CID 155956952

IUPAC2-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]-2-(2-fluorophenyl)acetic acid
SMILESCOc1cc(F)cc(F)c1C1CN(C(C(=O)O)c2ccccc2F)CCO1
InChIInChI=1S/C19H18F3NO4/c1-26-15-9-11(20)8-14(22)17(15)16-10-23(6-7-27-16)18(19(24)25)12-4-2-3-5-13(12)21/h2-5,8-9,16,18H,6-7,10H2,1H3,(H,24,25)
InChIKeyMPNUDYNFYAQAPS-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.31
Rot. Bonds5

About 2-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]-2-(2-fluorophenyl)acetic acid

2-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]-2-(2-fluorophenyl)acetic acid (PubChem CID 155956952) has the molecular formula C19H18F3NO4 and a molecular weight of 381.35 g/mol. Its IUPAC name is 2-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]-2-(2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]-2-(2-fluorophenyl)acetic acid
PubChem CID155956952
Molecular FormulaC19H18F3NO4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Name2-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]-2-(2-fluorophenyl)acetic acid
SMILESCOc1cc(F)cc(F)c1C1CN(C(C(=O)O)c2ccccc2F)CCO1
InChIInChI=1S/C19H18F3NO4/c1-26-15-9-11(20)8-14(22)17(15)16-10-23(6-7-27-16)18(19(24)25)12-4-2-3-5-13(12)21/h2-5,8-9,16,18H,6-7,10H2,1H3,(H,24,25)
InChIKeyMPNUDYNFYAQAPS-UHFFFAOYSA-N
XLogP3.31
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]-2-(2-fluorophenyl)acetic acid?
The IUPAC name of 2-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]-2-(2-fluorophenyl)acetic acid (CID 155956952) is 2-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]-2-(2-fluorophenyl)acetic acid.
What is the SMILES notation for 2-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]-2-(2-fluorophenyl)acetic acid?
The canonical SMILES for 2-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]-2-(2-fluorophenyl)acetic acid is COc1cc(F)cc(F)c1C1CN(C(C(=O)O)c2ccccc2F)CCO1.
What is the InChIKey of 2-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]-2-(2-fluorophenyl)acetic acid?
The InChIKey is MPNUDYNFYAQAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO4/c1-26-15-9-11(20)8-14(22)17(15)16-10-23(6-7-27-16)18(19(24)25)12-4-2-3-5-13(12)21/h2-5,8-9,16,18H,6-7,10H2,1H3,(H,24,25).
What are the key properties of 2-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]-2-(2-fluorophenyl)acetic acid?
2-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]-2-(2-fluorophenyl)acetic acid has a molecular weight of 381.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-difluoro-6-methoxyphenyl)morpholin-4-yl]-2-(2-fluorophenyl)acetic acid is sourced from PubChem (CID 155956952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).