4-[4-(difluoromethylsulfonyl)phenyl]-2-methyl-5-phenylmorpholine

C18H19F2NO3S — CID 133429168

IUPAC4-[4-(difluoromethylsulfonyl)phenyl]-2-methyl-5-phenylmorpholine
SMILESCC1CN(c2ccc(S(=O)(=O)C(F)F)cc2)C(c2ccccc2)CO1
InChIInChI=1S/C18H19F2NO3S/c1-13-11-21(17(12-24-13)14-5-3-2-4-6-14)15-7-9-16(10-8-15)25(22,23)18(19)20/h2-10,13,17-18H,11-12H2,1H3
InChIKeyYCOXGMPKLWUODW-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.65
Rot. Bonds4

About 4-[4-(difluoromethylsulfonyl)phenyl]-2-methyl-5-phenylmorpholine

4-[4-(difluoromethylsulfonyl)phenyl]-2-methyl-5-phenylmorpholine (PubChem CID 133429168) has the molecular formula C18H19F2NO3S and a molecular weight of 367.42 g/mol. Its IUPAC name is 4-[4-(difluoromethylsulfonyl)phenyl]-2-methyl-5-phenylmorpholine.

Molecular Properties

Compound Name4-[4-(difluoromethylsulfonyl)phenyl]-2-methyl-5-phenylmorpholine
PubChem CID133429168
Molecular FormulaC18H19F2NO3S
Molecular Weight367.42 g/mol
Exact Mass367.11
IUPAC Name4-[4-(difluoromethylsulfonyl)phenyl]-2-methyl-5-phenylmorpholine
SMILESCC1CN(c2ccc(S(=O)(=O)C(F)F)cc2)C(c2ccccc2)CO1
InChIInChI=1S/C18H19F2NO3S/c1-13-11-21(17(12-24-13)14-5-3-2-4-6-14)15-7-9-16(10-8-15)25(22,23)18(19)20/h2-10,13,17-18H,11-12H2,1H3
InChIKeyYCOXGMPKLWUODW-UHFFFAOYSA-N
XLogP3.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethylsulfonyl)phenyl]-2-methyl-5-phenylmorpholine?
The IUPAC name of 4-[4-(difluoromethylsulfonyl)phenyl]-2-methyl-5-phenylmorpholine (CID 133429168) is 4-[4-(difluoromethylsulfonyl)phenyl]-2-methyl-5-phenylmorpholine.
What is the SMILES notation for 4-[4-(difluoromethylsulfonyl)phenyl]-2-methyl-5-phenylmorpholine?
The canonical SMILES for 4-[4-(difluoromethylsulfonyl)phenyl]-2-methyl-5-phenylmorpholine is CC1CN(c2ccc(S(=O)(=O)C(F)F)cc2)C(c2ccccc2)CO1.
What is the InChIKey of 4-[4-(difluoromethylsulfonyl)phenyl]-2-methyl-5-phenylmorpholine?
The InChIKey is YCOXGMPKLWUODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3S/c1-13-11-21(17(12-24-13)14-5-3-2-4-6-14)15-7-9-16(10-8-15)25(22,23)18(19)20/h2-10,13,17-18H,11-12H2,1H3.
What are the key properties of 4-[4-(difluoromethylsulfonyl)phenyl]-2-methyl-5-phenylmorpholine?
4-[4-(difluoromethylsulfonyl)phenyl]-2-methyl-5-phenylmorpholine has a molecular weight of 367.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethylsulfonyl)phenyl]-2-methyl-5-phenylmorpholine is sourced from PubChem (CID 133429168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).