4-(3-fluoro-4-hydroxy-N-sulfinatoanilino)morpholine

C10H12FN2O4S- — CID 57057103

IUPAC4-(3-fluoro-4-hydroxy-N-sulfinatoanilino)morpholine
SMILESO=S([O-])N(c1ccc(O)c(F)c1)N1CCOCC1
InChIInChI=1S/C10H13FN2O4S/c11-9-7-8(1-2-10(9)14)13(18(15)16)12-3-5-17-6-4-12/h1-2,7,14H,3-6H2,(H,15,16)/p-1
InChIKeyVVLRFOGPRBXCCW-UHFFFAOYSA-M
MW275.28 g/mol
LogP0.38
Rot. Bonds3

About 4-(3-fluoro-4-hydroxy-N-sulfinatoanilino)morpholine

4-(3-fluoro-4-hydroxy-N-sulfinatoanilino)morpholine (PubChem CID 57057103) has the molecular formula C10H12FN2O4S- and a molecular weight of 275.28 g/mol. Its IUPAC name is 4-(3-fluoro-4-hydroxy-N-sulfinatoanilino)morpholine.

Molecular Properties

Compound Name4-(3-fluoro-4-hydroxy-N-sulfinatoanilino)morpholine
PubChem CID57057103
Molecular FormulaC10H12FN2O4S-
Molecular Weight275.28 g/mol
Exact Mass275.05
IUPAC Name4-(3-fluoro-4-hydroxy-N-sulfinatoanilino)morpholine
SMILESO=S([O-])N(c1ccc(O)c(F)c1)N1CCOCC1
InChIInChI=1S/C10H13FN2O4S/c11-9-7-8(1-2-10(9)14)13(18(15)16)12-3-5-17-6-4-12/h1-2,7,14H,3-6H2,(H,15,16)/p-1
InChIKeyVVLRFOGPRBXCCW-UHFFFAOYSA-M
XLogP0.38
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-hydroxy-N-sulfinatoanilino)morpholine?
The IUPAC name of 4-(3-fluoro-4-hydroxy-N-sulfinatoanilino)morpholine (CID 57057103) is 4-(3-fluoro-4-hydroxy-N-sulfinatoanilino)morpholine.
What is the SMILES notation for 4-(3-fluoro-4-hydroxy-N-sulfinatoanilino)morpholine?
The canonical SMILES for 4-(3-fluoro-4-hydroxy-N-sulfinatoanilino)morpholine is O=S([O-])N(c1ccc(O)c(F)c1)N1CCOCC1.
What is the InChIKey of 4-(3-fluoro-4-hydroxy-N-sulfinatoanilino)morpholine?
The InChIKey is VVLRFOGPRBXCCW-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13FN2O4S/c11-9-7-8(1-2-10(9)14)13(18(15)16)12-3-5-17-6-4-12/h1-2,7,14H,3-6H2,(H,15,16)/p-1.
What are the key properties of 4-(3-fluoro-4-hydroxy-N-sulfinatoanilino)morpholine?
4-(3-fluoro-4-hydroxy-N-sulfinatoanilino)morpholine has a molecular weight of 275.28 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-hydroxy-N-sulfinatoanilino)morpholine is sourced from PubChem (CID 57057103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).