4-(2,3,5,6-tetrafluoro-4-phenylphenyl)morpholine

C16H13F4NO — CID 872458

IUPAC4-(2,3,5,6-tetrafluoro-4-phenylphenyl)morpholine
SMILESFc1c(F)c(N2CCOCC2)c(F)c(F)c1-c1ccccc1
InChIInChI=1S/C16H13F4NO/c17-12-11(10-4-2-1-3-5-10)13(18)15(20)16(14(12)19)21-6-8-22-9-7-21/h1-5H,6-9H2
InChIKeyBVMPDFVRLRGNGA-UHFFFAOYSA-N
MW311.28 g/mol
LogP3.75
Rot. Bonds2

About 4-(2,3,5,6-tetrafluoro-4-phenylphenyl)morpholine

4-(2,3,5,6-tetrafluoro-4-phenylphenyl)morpholine (PubChem CID 872458) has the molecular formula C16H13F4NO and a molecular weight of 311.28 g/mol. Its IUPAC name is 4-(2,3,5,6-tetrafluoro-4-phenylphenyl)morpholine.

Molecular Properties

Compound Name4-(2,3,5,6-tetrafluoro-4-phenylphenyl)morpholine
PubChem CID872458
Molecular FormulaC16H13F4NO
Molecular Weight311.28 g/mol
Exact Mass311.09
IUPAC Name4-(2,3,5,6-tetrafluoro-4-phenylphenyl)morpholine
SMILESFc1c(F)c(N2CCOCC2)c(F)c(F)c1-c1ccccc1
InChIInChI=1S/C16H13F4NO/c17-12-11(10-4-2-1-3-5-10)13(18)15(20)16(14(12)19)21-6-8-22-9-7-21/h1-5H,6-9H2
InChIKeyBVMPDFVRLRGNGA-UHFFFAOYSA-N
XLogP3.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 53.75
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-tetrafluoro-4-phenylphenyl)morpholine?
The IUPAC name of 4-(2,3,5,6-tetrafluoro-4-phenylphenyl)morpholine (CID 872458) is 4-(2,3,5,6-tetrafluoro-4-phenylphenyl)morpholine.
What is the SMILES notation for 4-(2,3,5,6-tetrafluoro-4-phenylphenyl)morpholine?
The canonical SMILES for 4-(2,3,5,6-tetrafluoro-4-phenylphenyl)morpholine is Fc1c(F)c(N2CCOCC2)c(F)c(F)c1-c1ccccc1.
What is the InChIKey of 4-(2,3,5,6-tetrafluoro-4-phenylphenyl)morpholine?
The InChIKey is BVMPDFVRLRGNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO/c17-12-11(10-4-2-1-3-5-10)13(18)15(20)16(14(12)19)21-6-8-22-9-7-21/h1-5H,6-9H2.
What are the key properties of 4-(2,3,5,6-tetrafluoro-4-phenylphenyl)morpholine?
4-(2,3,5,6-tetrafluoro-4-phenylphenyl)morpholine has a molecular weight of 311.28 g/mol, XLogP of 3.75, 2 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-tetrafluoro-4-phenylphenyl)morpholine is sourced from PubChem (CID 872458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).