(2-dimethoxyphosphoryl-4-fluorophenyl)methanamine

C9H13FNO3P — CID 21069945

IUPAC(2-dimethoxyphosphoryl-4-fluorophenyl)methanamine
SMILESCOP(=O)(OC)c1cc(F)ccc1CN
InChIInChI=1S/C9H13FNO3P/c1-13-15(12,14-2)9-5-8(10)4-3-7(9)6-11/h3-5H,6,11H2,1-2H3
InChIKeyDWJIAXPQQOGLRT-UHFFFAOYSA-N
MW233.18 g/mol
LogP1.40
Rot. Bonds4

About (2-dimethoxyphosphoryl-4-fluorophenyl)methanamine

(2-dimethoxyphosphoryl-4-fluorophenyl)methanamine (PubChem CID 21069945) has the molecular formula C9H13FNO3P and a molecular weight of 233.18 g/mol. Its IUPAC name is (2-dimethoxyphosphoryl-4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(2-dimethoxyphosphoryl-4-fluorophenyl)methanamine
PubChem CID21069945
Molecular FormulaC9H13FNO3P
Molecular Weight233.18 g/mol
Exact Mass233.06
IUPAC Name(2-dimethoxyphosphoryl-4-fluorophenyl)methanamine
SMILESCOP(=O)(OC)c1cc(F)ccc1CN
InChIInChI=1S/C9H13FNO3P/c1-13-15(12,14-2)9-5-8(10)4-3-7(9)6-11/h3-5H,6,11H2,1-2H3
InChIKeyDWJIAXPQQOGLRT-UHFFFAOYSA-N
XLogP1.40
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-dimethoxyphosphoryl-4-fluorophenyl)methanamine?
The IUPAC name of (2-dimethoxyphosphoryl-4-fluorophenyl)methanamine (CID 21069945) is (2-dimethoxyphosphoryl-4-fluorophenyl)methanamine.
What is the SMILES notation for (2-dimethoxyphosphoryl-4-fluorophenyl)methanamine?
The canonical SMILES for (2-dimethoxyphosphoryl-4-fluorophenyl)methanamine is COP(=O)(OC)c1cc(F)ccc1CN.
What is the InChIKey of (2-dimethoxyphosphoryl-4-fluorophenyl)methanamine?
The InChIKey is DWJIAXPQQOGLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FNO3P/c1-13-15(12,14-2)9-5-8(10)4-3-7(9)6-11/h3-5H,6,11H2,1-2H3.
What are the key properties of (2-dimethoxyphosphoryl-4-fluorophenyl)methanamine?
(2-dimethoxyphosphoryl-4-fluorophenyl)methanamine has a molecular weight of 233.18 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dimethoxyphosphoryl-4-fluorophenyl)methanamine is sourced from PubChem (CID 21069945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).