4-bis(4-fluorophenyl)phosphorylmorpholine

C16H16F2NO2P — CID 177036090

IUPAC4-bis(4-fluorophenyl)phosphorylmorpholine
SMILESO=P(c1ccc(F)cc1)(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C16H16F2NO2P/c17-13-1-5-15(6-2-13)22(20,19-9-11-21-12-10-19)16-7-3-14(18)4-8-16/h1-8H,9-12H2
InChIKeyAJQDUZJPWOZDDE-UHFFFAOYSA-N
MW323.28 g/mol
LogP2.53
Rot. Bonds3

About 4-bis(4-fluorophenyl)phosphorylmorpholine

4-bis(4-fluorophenyl)phosphorylmorpholine (PubChem CID 177036090) has the molecular formula C16H16F2NO2P and a molecular weight of 323.28 g/mol. Its IUPAC name is 4-bis(4-fluorophenyl)phosphorylmorpholine.

Molecular Properties

Compound Name4-bis(4-fluorophenyl)phosphorylmorpholine
PubChem CID177036090
Molecular FormulaC16H16F2NO2P
Molecular Weight323.28 g/mol
Exact Mass323.09
IUPAC Name4-bis(4-fluorophenyl)phosphorylmorpholine
SMILESO=P(c1ccc(F)cc1)(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C16H16F2NO2P/c17-13-1-5-15(6-2-13)22(20,19-9-11-21-12-10-19)16-7-3-14(18)4-8-16/h1-8H,9-12H2
InChIKeyAJQDUZJPWOZDDE-UHFFFAOYSA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bis(4-fluorophenyl)phosphorylmorpholine?
The IUPAC name of 4-bis(4-fluorophenyl)phosphorylmorpholine (CID 177036090) is 4-bis(4-fluorophenyl)phosphorylmorpholine.
What is the SMILES notation for 4-bis(4-fluorophenyl)phosphorylmorpholine?
The canonical SMILES for 4-bis(4-fluorophenyl)phosphorylmorpholine is O=P(c1ccc(F)cc1)(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 4-bis(4-fluorophenyl)phosphorylmorpholine?
The InChIKey is AJQDUZJPWOZDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2NO2P/c17-13-1-5-15(6-2-13)22(20,19-9-11-21-12-10-19)16-7-3-14(18)4-8-16/h1-8H,9-12H2.
What are the key properties of 4-bis(4-fluorophenyl)phosphorylmorpholine?
4-bis(4-fluorophenyl)phosphorylmorpholine has a molecular weight of 323.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bis(4-fluorophenyl)phosphorylmorpholine is sourced from PubChem (CID 177036090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).