dodecakis(butan-1-amine);fluorophosphonous acid

C48H144F6N12O12P6 — CID 173225344

IUPACdodecakis(butan-1-amine);fluorophosphonous acid
SMILESCCCCN.CCCCN.CCCCN.CCCCN.CCCCN.CCCCN.CCCCN.CCCCN.CCCCN.CCCCN.CCCCN.CCCCN.OP(O)F.OP(O)F.OP(O)F.OP(O)F.OP(O)F.OP(O)F
InChIInChI=1S/12C4H11N.6FH2O2P/c12*1-2-3-4-5;6*1-4(2)3/h12*2-5H2,1H3;6*2-3H
InChIKeyCDRDNWAWFVTRAF-UHFFFAOYSA-N
MW1381.58 g/mol
LogP9.95
Rot. Bonds24

About dodecakis(butan-1-amine);fluorophosphonous acid

dodecakis(butan-1-amine);fluorophosphonous acid (PubChem CID 173225344) has the molecular formula C48H144F6N12O12P6 and a molecular weight of 1381.58 g/mol. Its IUPAC name is dodecakis(butan-1-amine);fluorophosphonous acid.

Molecular Properties

Compound Namedodecakis(butan-1-amine);fluorophosphonous acid
PubChem CID173225344
Molecular FormulaC48H144F6N12O12P6
Molecular Weight1381.58 g/mol
Exact Mass1380.94
IUPAC Namedodecakis(butan-1-amine);fluorophosphonous acid
SMILESCCCCN.CCCCN.CCCCN.CCCCN.CCCCN.CCCCN.CCCCN.CCCCN.CCCCN.CCCCN.CCCCN.CCCCN.OP(O)F.OP(O)F.OP(O)F.OP(O)F.OP(O)F.OP(O)F
InChIInChI=1S/12C4H11N.6FH2O2P/c12*1-2-3-4-5;6*1-4(2)3/h12*2-5H2,1H3;6*2-3H
InChIKeyCDRDNWAWFVTRAF-UHFFFAOYSA-N
XLogP9.95
TPSA555.00 Ų
H-Bond Donors24
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001381.58
LogP ≤ 59.95
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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Related Compounds

CID 159237160
CID 159237160
tris(butan-1-amine);methylsilane
CID 161377074
butan-1-amine;hydron;hexafluorophosphate
CID 174702640
butan-1-amine;propan-2-ol
CID 174667581
azane;butan-1-amine;ethane;hydrate
CID 159979344
butan-1-amine;dodecan-1-amine
CID 158532895
butan-1-amine;hydroxy(oxo)phosphanium
CID 173106427
butan-1-amine;2-(2-hydroxyethoxy)ethanol
CID 158511117
tetrakis(butan-1-amine);tetraiodoplumbane
CID 170458283
butan-1-amine;dichlorogermane
CID 174998668
dodecan-1-amine;hydroxylamine
CID 175960605
dotetracontan-1-amine
CID 14550497

Frequently Asked Questions

What is the IUPAC name of dodecakis(butan-1-amine);fluorophosphonous acid?
The IUPAC name of dodecakis(butan-1-amine);fluorophosphonous acid (CID 173225344) is dodecakis(butan-1-amine);fluorophosphonous acid.
What is the SMILES notation for dodecakis(butan-1-amine);fluorophosphonous acid?
The canonical SMILES for dodecakis(butan-1-amine);fluorophosphonous acid is CCCCN.CCCCN.CCCCN.CCCCN.CCCCN.CCCCN.CCCCN.CCCCN.CCCCN.CCCCN.CCCCN.CCCCN.OP(O)F.OP(O)F.OP(O)F.OP(O)F.OP(O)F.OP(O)F.
What is the InChIKey of dodecakis(butan-1-amine);fluorophosphonous acid?
The InChIKey is CDRDNWAWFVTRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/12C4H11N.6FH2O2P/c12*1-2-3-4-5;6*1-4(2)3/h12*2-5H2,1H3;6*2-3H.
What are the key properties of dodecakis(butan-1-amine);fluorophosphonous acid?
dodecakis(butan-1-amine);fluorophosphonous acid has a molecular weight of 1381.58 g/mol, XLogP of 9.95, 24 rotatable bonds, 24 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for dodecakis(butan-1-amine);fluorophosphonous acid is sourced from PubChem (CID 173225344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).