4-(trifluoromethylsulfonyl)morpholine

C5H8F3NO3S — CID 12065824

IUPAC4-(trifluoromethylsulfonyl)morpholine
SMILESO=S(=O)(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C5H8F3NO3S/c6-5(7,8)13(10,11)9-1-3-12-4-2-9/h1-4H2
InChIKeyRQVCKGASCQRJKR-UHFFFAOYSA-N
MW219.18 g/mol
LogP0.17
Rot. Bonds1

About 4-(trifluoromethylsulfonyl)morpholine

4-(trifluoromethylsulfonyl)morpholine (PubChem CID 12065824) has the molecular formula C5H8F3NO3S and a molecular weight of 219.18 g/mol. Its IUPAC name is 4-(trifluoromethylsulfonyl)morpholine.

Molecular Properties

Compound Name4-(trifluoromethylsulfonyl)morpholine
PubChem CID12065824
Molecular FormulaC5H8F3NO3S
Molecular Weight219.18 g/mol
Exact Mass219.02
IUPAC Name4-(trifluoromethylsulfonyl)morpholine
SMILESO=S(=O)(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C5H8F3NO3S/c6-5(7,8)13(10,11)9-1-3-12-4-2-9/h1-4H2
InChIKeyRQVCKGASCQRJKR-UHFFFAOYSA-N
XLogP0.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.18
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethylsulfonyl)morpholine?
The IUPAC name of 4-(trifluoromethylsulfonyl)morpholine (CID 12065824) is 4-(trifluoromethylsulfonyl)morpholine.
What is the SMILES notation for 4-(trifluoromethylsulfonyl)morpholine?
The canonical SMILES for 4-(trifluoromethylsulfonyl)morpholine is O=S(=O)(N1CCOCC1)C(F)(F)F.
What is the InChIKey of 4-(trifluoromethylsulfonyl)morpholine?
The InChIKey is RQVCKGASCQRJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO3S/c6-5(7,8)13(10,11)9-1-3-12-4-2-9/h1-4H2.
What are the key properties of 4-(trifluoromethylsulfonyl)morpholine?
4-(trifluoromethylsulfonyl)morpholine has a molecular weight of 219.18 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethylsulfonyl)morpholine is sourced from PubChem (CID 12065824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).