N-fluoro-1-methylphosphanylethanamine

C3H9FNP — CID 167075073

IUPACN-fluoro-1-methylphosphanylethanamine
SMILESCPC(C)NF
InChIInChI=1S/C3H9FNP/c1-3(5-4)6-2/h3,5-6H,1-2H3
InChIKeyVNHCVDADUVVDRH-UHFFFAOYSA-N
MW109.08 g/mol
LogP1.11
Rot. Bonds2

About N-fluoro-1-methylphosphanylethanamine

N-fluoro-1-methylphosphanylethanamine (PubChem CID 167075073) has the molecular formula C3H9FNP and a molecular weight of 109.08 g/mol. Its IUPAC name is N-fluoro-1-methylphosphanylethanamine.

Molecular Properties

Compound NameN-fluoro-1-methylphosphanylethanamine
PubChem CID167075073
Molecular FormulaC3H9FNP
Molecular Weight109.08 g/mol
Exact Mass109.05
IUPAC NameN-fluoro-1-methylphosphanylethanamine
SMILESCPC(C)NF
InChIInChI=1S/C3H9FNP/c1-3(5-4)6-2/h3,5-6H,1-2H3
InChIKeyVNHCVDADUVVDRH-UHFFFAOYSA-N
XLogP1.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.08
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-1-methylphosphanylethanamine?
The IUPAC name of N-fluoro-1-methylphosphanylethanamine (CID 167075073) is N-fluoro-1-methylphosphanylethanamine.
What is the SMILES notation for N-fluoro-1-methylphosphanylethanamine?
The canonical SMILES for N-fluoro-1-methylphosphanylethanamine is CPC(C)NF.
What is the InChIKey of N-fluoro-1-methylphosphanylethanamine?
The InChIKey is VNHCVDADUVVDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9FNP/c1-3(5-4)6-2/h3,5-6H,1-2H3.
What are the key properties of N-fluoro-1-methylphosphanylethanamine?
N-fluoro-1-methylphosphanylethanamine has a molecular weight of 109.08 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-1-methylphosphanylethanamine is sourced from PubChem (CID 167075073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).