2-[4-(difluoromethoxy)phenyl]-4-(2-fluoro-4-methylsulfonylphenyl)morpholine

C18H18F3NO4S — CID 139001685

IUPAC2-[4-(difluoromethoxy)phenyl]-4-(2-fluoro-4-methylsulfonylphenyl)morpholine
SMILESCS(=O)(=O)c1ccc(N2CCOC(c3ccc(OC(F)F)cc3)C2)c(F)c1
InChIInChI=1S/C18H18F3NO4S/c1-27(23,24)14-6-7-16(15(19)10-14)22-8-9-25-17(11-22)12-2-4-13(5-3-12)26-18(20)21/h2-7,10,17-18H,8-9,11H2,1H3
InChIKeyTULRJOCICBGXGJ-UHFFFAOYSA-N
MW401.41 g/mol
LogP3.41
Rot. Bonds5

About 2-[4-(difluoromethoxy)phenyl]-4-(2-fluoro-4-methylsulfonylphenyl)morpholine

2-[4-(difluoromethoxy)phenyl]-4-(2-fluoro-4-methylsulfonylphenyl)morpholine (PubChem CID 139001685) has the molecular formula C18H18F3NO4S and a molecular weight of 401.41 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-4-(2-fluoro-4-methylsulfonylphenyl)morpholine.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-4-(2-fluoro-4-methylsulfonylphenyl)morpholine
PubChem CID139001685
Molecular FormulaC18H18F3NO4S
Molecular Weight401.41 g/mol
Exact Mass401.09
IUPAC Name2-[4-(difluoromethoxy)phenyl]-4-(2-fluoro-4-methylsulfonylphenyl)morpholine
SMILESCS(=O)(=O)c1ccc(N2CCOC(c3ccc(OC(F)F)cc3)C2)c(F)c1
InChIInChI=1S/C18H18F3NO4S/c1-27(23,24)14-6-7-16(15(19)10-14)22-8-9-25-17(11-22)12-2-4-13(5-3-12)26-18(20)21/h2-7,10,17-18H,8-9,11H2,1H3
InChIKeyTULRJOCICBGXGJ-UHFFFAOYSA-N
XLogP3.41
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-4-(2-fluoro-4-methylsulfonylphenyl)morpholine?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-4-(2-fluoro-4-methylsulfonylphenyl)morpholine (CID 139001685) is 2-[4-(difluoromethoxy)phenyl]-4-(2-fluoro-4-methylsulfonylphenyl)morpholine.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-4-(2-fluoro-4-methylsulfonylphenyl)morpholine?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-4-(2-fluoro-4-methylsulfonylphenyl)morpholine is CS(=O)(=O)c1ccc(N2CCOC(c3ccc(OC(F)F)cc3)C2)c(F)c1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-4-(2-fluoro-4-methylsulfonylphenyl)morpholine?
The InChIKey is TULRJOCICBGXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO4S/c1-27(23,24)14-6-7-16(15(19)10-14)22-8-9-25-17(11-22)12-2-4-13(5-3-12)26-18(20)21/h2-7,10,17-18H,8-9,11H2,1H3.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-4-(2-fluoro-4-methylsulfonylphenyl)morpholine?
2-[4-(difluoromethoxy)phenyl]-4-(2-fluoro-4-methylsulfonylphenyl)morpholine has a molecular weight of 401.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-4-(2-fluoro-4-methylsulfonylphenyl)morpholine is sourced from PubChem (CID 139001685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).