N'-[3-(2,2-difluoro-2-phosphanylethoxy)propyl]-N,N'-dimethylethane-1,2-diamine

C9H21F2N2OP — CID 144867809

IUPACN'-[3-(2,2-difluoro-2-phosphanylethoxy)propyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)CCCOCC(F)(F)P
InChIInChI=1S/C9H21F2N2OP/c1-12-4-6-13(2)5-3-7-14-8-9(10,11)15/h12H,3-8,15H2,1-2H3
InChIKeyCVJHLEXJTUMKHN-UHFFFAOYSA-N
MW242.25 g/mol
LogP1.01
Rot. Bonds9

About N'-[3-(2,2-difluoro-2-phosphanylethoxy)propyl]-N,N'-dimethylethane-1,2-diamine

N'-[3-(2,2-difluoro-2-phosphanylethoxy)propyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 144867809) has the molecular formula C9H21F2N2OP and a molecular weight of 242.25 g/mol. Its IUPAC name is N'-[3-(2,2-difluoro-2-phosphanylethoxy)propyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(2,2-difluoro-2-phosphanylethoxy)propyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID144867809
Molecular FormulaC9H21F2N2OP
Molecular Weight242.25 g/mol
Exact Mass242.14
IUPAC NameN'-[3-(2,2-difluoro-2-phosphanylethoxy)propyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)CCCOCC(F)(F)P
InChIInChI=1S/C9H21F2N2OP/c1-12-4-6-13(2)5-3-7-14-8-9(10,11)15/h12H,3-8,15H2,1-2H3
InChIKeyCVJHLEXJTUMKHN-UHFFFAOYSA-N
XLogP1.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(2,2-difluoro-2-phosphanylethoxy)propyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[3-(2,2-difluoro-2-phosphanylethoxy)propyl]-N,N'-dimethylethane-1,2-diamine (CID 144867809) is N'-[3-(2,2-difluoro-2-phosphanylethoxy)propyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[3-(2,2-difluoro-2-phosphanylethoxy)propyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[3-(2,2-difluoro-2-phosphanylethoxy)propyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)CCCOCC(F)(F)P.
What is the InChIKey of N'-[3-(2,2-difluoro-2-phosphanylethoxy)propyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is CVJHLEXJTUMKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21F2N2OP/c1-12-4-6-13(2)5-3-7-14-8-9(10,11)15/h12H,3-8,15H2,1-2H3.
What are the key properties of N'-[3-(2,2-difluoro-2-phosphanylethoxy)propyl]-N,N'-dimethylethane-1,2-diamine?
N'-[3-(2,2-difluoro-2-phosphanylethoxy)propyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 242.25 g/mol, XLogP of 1.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2,2-difluoro-2-phosphanylethoxy)propyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 144867809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).