4-(2,3,5,6-tetrafluorophenyl)morpholine

C10H9F4NO — CID 19980959

IUPAC4-(2,3,5,6-tetrafluorophenyl)morpholine
SMILESFc1cc(F)c(F)c(N2CCOCC2)c1F
InChIInChI=1S/C10H9F4NO/c11-6-5-7(12)9(14)10(8(6)13)15-1-3-16-4-2-15/h5H,1-4H2
InChIKeyVWYIAHQVUCYGDK-UHFFFAOYSA-N
MW235.18 g/mol
LogP2.08
Rot. Bonds1

About 4-(2,3,5,6-tetrafluorophenyl)morpholine

4-(2,3,5,6-tetrafluorophenyl)morpholine (PubChem CID 19980959) has the molecular formula C10H9F4NO and a molecular weight of 235.18 g/mol. Its IUPAC name is 4-(2,3,5,6-tetrafluorophenyl)morpholine.

Molecular Properties

Compound Name4-(2,3,5,6-tetrafluorophenyl)morpholine
PubChem CID19980959
Molecular FormulaC10H9F4NO
Molecular Weight235.18 g/mol
Exact Mass235.06
IUPAC Name4-(2,3,5,6-tetrafluorophenyl)morpholine
SMILESFc1cc(F)c(F)c(N2CCOCC2)c1F
InChIInChI=1S/C10H9F4NO/c11-6-5-7(12)9(14)10(8(6)13)15-1-3-16-4-2-15/h5H,1-4H2
InChIKeyVWYIAHQVUCYGDK-UHFFFAOYSA-N
XLogP2.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5,6-tetrafluorophenyl)morpholine?
The IUPAC name of 4-(2,3,5,6-tetrafluorophenyl)morpholine (CID 19980959) is 4-(2,3,5,6-tetrafluorophenyl)morpholine.
What is the SMILES notation for 4-(2,3,5,6-tetrafluorophenyl)morpholine?
The canonical SMILES for 4-(2,3,5,6-tetrafluorophenyl)morpholine is Fc1cc(F)c(F)c(N2CCOCC2)c1F.
What is the InChIKey of 4-(2,3,5,6-tetrafluorophenyl)morpholine?
The InChIKey is VWYIAHQVUCYGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO/c11-6-5-7(12)9(14)10(8(6)13)15-1-3-16-4-2-15/h5H,1-4H2.
What are the key properties of 4-(2,3,5,6-tetrafluorophenyl)morpholine?
4-(2,3,5,6-tetrafluorophenyl)morpholine has a molecular weight of 235.18 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5,6-tetrafluorophenyl)morpholine is sourced from PubChem (CID 19980959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).