N-[butyl(fluoro)phosphoryl]-N-ethylethanamine

C8H19FNOP — CID 131857203

IUPACN-[butyl(fluoro)phosphoryl]-N-ethylethanamine
SMILESCCCCP(=O)(F)N(CC)CC
InChIInChI=1S/C8H19FNOP/c1-4-7-8-12(9,11)10(5-2)6-3/h4-8H2,1-3H3
InChIKeyACPWYQFYYIKYLZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP3.29
Rot. Bonds6

About N-[butyl(fluoro)phosphoryl]-N-ethylethanamine

N-[butyl(fluoro)phosphoryl]-N-ethylethanamine (PubChem CID 131857203) has the molecular formula C8H19FNOP and a molecular weight of 195.22 g/mol. Its IUPAC name is N-[butyl(fluoro)phosphoryl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[butyl(fluoro)phosphoryl]-N-ethylethanamine
PubChem CID131857203
Molecular FormulaC8H19FNOP
Molecular Weight195.22 g/mol
Exact Mass195.12
IUPAC NameN-[butyl(fluoro)phosphoryl]-N-ethylethanamine
SMILESCCCCP(=O)(F)N(CC)CC
InChIInChI=1S/C8H19FNOP/c1-4-7-8-12(9,11)10(5-2)6-3/h4-8H2,1-3H3
InChIKeyACPWYQFYYIKYLZ-UHFFFAOYSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[butyl(fluoro)phosphoryl]-N-ethylethanamine?
The IUPAC name of N-[butyl(fluoro)phosphoryl]-N-ethylethanamine (CID 131857203) is N-[butyl(fluoro)phosphoryl]-N-ethylethanamine.
What is the SMILES notation for N-[butyl(fluoro)phosphoryl]-N-ethylethanamine?
The canonical SMILES for N-[butyl(fluoro)phosphoryl]-N-ethylethanamine is CCCCP(=O)(F)N(CC)CC.
What is the InChIKey of N-[butyl(fluoro)phosphoryl]-N-ethylethanamine?
The InChIKey is ACPWYQFYYIKYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19FNOP/c1-4-7-8-12(9,11)10(5-2)6-3/h4-8H2,1-3H3.
What are the key properties of N-[butyl(fluoro)phosphoryl]-N-ethylethanamine?
N-[butyl(fluoro)phosphoryl]-N-ethylethanamine has a molecular weight of 195.22 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butyl(fluoro)phosphoryl]-N-ethylethanamine is sourced from PubChem (CID 131857203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).