4-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]morpholine

C18H16F5NO3S — CID 133449960

IUPAC4-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESO=S(=O)(c1ccccc1N1CCOC(c2ccc(C(F)(F)F)cc2)C1)C(F)F
InChIInChI=1S/C18H16F5NO3S/c19-17(20)28(25,26)16-4-2-1-3-14(16)24-9-10-27-15(11-24)12-5-7-13(8-6-12)18(21,22)23/h1-8,15,17H,9-11H2
InChIKeyUQMHBSRCGAVULR-UHFFFAOYSA-N
MW421.39 g/mol
LogP4.28
Rot. Bonds4

About 4-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]morpholine

4-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]morpholine (PubChem CID 133449960) has the molecular formula C18H16F5NO3S and a molecular weight of 421.39 g/mol. Its IUPAC name is 4-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]morpholine
PubChem CID133449960
Molecular FormulaC18H16F5NO3S
Molecular Weight421.39 g/mol
Exact Mass421.08
IUPAC Name4-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESO=S(=O)(c1ccccc1N1CCOC(c2ccc(C(F)(F)F)cc2)C1)C(F)F
InChIInChI=1S/C18H16F5NO3S/c19-17(20)28(25,26)16-4-2-1-3-14(16)24-9-10-27-15(11-24)12-5-7-13(8-6-12)18(21,22)23/h1-8,15,17H,9-11H2
InChIKeyUQMHBSRCGAVULR-UHFFFAOYSA-N
XLogP4.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-4-[2-(difluoromethylsulfonyl)phenyl]morpholine
CID 56557020
(3S)-1-[2-(difluoromethylsulfonyl)phenyl]pyrrolidin-3-ol
CID 113239909
(3R)-1-[2-(difluoromethylsulfonyl)phenyl]pyrrolidin-3-ol
CID 113238022
4-(6-tert-butylsulfonyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449768
2-(2-methylphenyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine
CID 133354177
4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449879
4-(1-phenyltetrazol-5-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449904
1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpiperidin-4-ol
CID 114680750
4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449940
(2S)-4-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine
CID 95366969
4-(3-nitro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449807
(2S)-4-pyridin-3-ylsulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine
CID 95366963

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]morpholine (CID 133449960) is 4-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]morpholine is O=S(=O)(c1ccccc1N1CCOC(c2ccc(C(F)(F)F)cc2)C1)C(F)F.
What is the InChIKey of 4-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]morpholine?
The InChIKey is UQMHBSRCGAVULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F5NO3S/c19-17(20)28(25,26)16-4-2-1-3-14(16)24-9-10-27-15(11-24)12-5-7-13(8-6-12)18(21,22)23/h1-8,15,17H,9-11H2.
What are the key properties of 4-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]morpholine?
4-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]morpholine has a molecular weight of 421.39 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 133449960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).