1-fluoro-N-methyl-1-phosphanylethanamine

C3H9FNP — CID 170134628

IUPAC1-fluoro-N-methyl-1-phosphanylethanamine
SMILESCNC(C)(F)P
InChIInChI=1S/C3H9FNP/c1-3(4,6)5-2/h5H,6H2,1-2H3
InChIKeyXVHZRDPAMKYEAM-UHFFFAOYSA-N
MW109.08 g/mol
LogP0.72
Rot. Bonds1

About 1-fluoro-N-methyl-1-phosphanylethanamine

1-fluoro-N-methyl-1-phosphanylethanamine (PubChem CID 170134628) has the molecular formula C3H9FNP and a molecular weight of 109.08 g/mol. Its IUPAC name is 1-fluoro-N-methyl-1-phosphanylethanamine.

Molecular Properties

Compound Name1-fluoro-N-methyl-1-phosphanylethanamine
PubChem CID170134628
Molecular FormulaC3H9FNP
Molecular Weight109.08 g/mol
Exact Mass109.05
IUPAC Name1-fluoro-N-methyl-1-phosphanylethanamine
SMILESCNC(C)(F)P
InChIInChI=1S/C3H9FNP/c1-3(4,6)5-2/h5H,6H2,1-2H3
InChIKeyXVHZRDPAMKYEAM-UHFFFAOYSA-N
XLogP0.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.08
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-methyl-1-phosphanylethanamine?
The IUPAC name of 1-fluoro-N-methyl-1-phosphanylethanamine (CID 170134628) is 1-fluoro-N-methyl-1-phosphanylethanamine.
What is the SMILES notation for 1-fluoro-N-methyl-1-phosphanylethanamine?
The canonical SMILES for 1-fluoro-N-methyl-1-phosphanylethanamine is CNC(C)(F)P.
What is the InChIKey of 1-fluoro-N-methyl-1-phosphanylethanamine?
The InChIKey is XVHZRDPAMKYEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9FNP/c1-3(4,6)5-2/h5H,6H2,1-2H3.
What are the key properties of 1-fluoro-N-methyl-1-phosphanylethanamine?
1-fluoro-N-methyl-1-phosphanylethanamine has a molecular weight of 109.08 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-methyl-1-phosphanylethanamine is sourced from PubChem (CID 170134628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).