4-[(2R)-morpholin-2-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]aniline

C16H17F5N2OS — CID 86766843

IUPAC4-[(2R)-morpholin-2-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]aniline
SMILESFS(F)(F)(F)(F)c1ccc(Nc2ccc([C@@H]3CNCCO3)cc2)cc1
InChIInChI=1S/C16H17F5N2OS/c17-25(18,19,20,21)15-7-5-14(6-8-15)23-13-3-1-12(2-4-13)16-11-22-9-10-24-16/h1-8,16,22-23H,9-11H2/t16-/m0/s1
InChIKeyBKUBRDYQNYRTJY-INIZCTEOSA-N
MW380.38 g/mol
LogP5.75
Rot. Bonds4

About 4-[(2R)-morpholin-2-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]aniline

4-[(2R)-morpholin-2-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]aniline (PubChem CID 86766843) has the molecular formula C16H17F5N2OS and a molecular weight of 380.38 g/mol. Its IUPAC name is 4-[(2R)-morpholin-2-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]aniline.

Molecular Properties

Compound Name4-[(2R)-morpholin-2-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]aniline
PubChem CID86766843
Molecular FormulaC16H17F5N2OS
Molecular Weight380.38 g/mol
Exact Mass380.10
IUPAC Name4-[(2R)-morpholin-2-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]aniline
SMILESFS(F)(F)(F)(F)c1ccc(Nc2ccc([C@@H]3CNCCO3)cc2)cc1
InChIInChI=1S/C16H17F5N2OS/c17-25(18,19,20,21)15-7-5-14(6-8-15)23-13-3-1-12(2-4-13)16-11-22-9-10-24-16/h1-8,16,22-23H,9-11H2/t16-/m0/s1
InChIKeyBKUBRDYQNYRTJY-INIZCTEOSA-N
XLogP5.75
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.38
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-morpholin-2-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]aniline?
The IUPAC name of 4-[(2R)-morpholin-2-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]aniline (CID 86766843) is 4-[(2R)-morpholin-2-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]aniline.
What is the SMILES notation for 4-[(2R)-morpholin-2-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]aniline?
The canonical SMILES for 4-[(2R)-morpholin-2-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]aniline is FS(F)(F)(F)(F)c1ccc(Nc2ccc([C@@H]3CNCCO3)cc2)cc1.
What is the InChIKey of 4-[(2R)-morpholin-2-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]aniline?
The InChIKey is BKUBRDYQNYRTJY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17F5N2OS/c17-25(18,19,20,21)15-7-5-14(6-8-15)23-13-3-1-12(2-4-13)16-11-22-9-10-24-16/h1-8,16,22-23H,9-11H2/t16-/m0/s1.
What are the key properties of 4-[(2R)-morpholin-2-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]aniline?
4-[(2R)-morpholin-2-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]aniline has a molecular weight of 380.38 g/mol, XLogP of 5.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-morpholin-2-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]aniline is sourced from PubChem (CID 86766843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).