N-[dichloromethyl(trichloromethyl)phosphoryl]-N-propan-2-ylpropan-2-amine

C8H15Cl5NOP — CID 11865217

IUPACN-[dichloromethyl(trichloromethyl)phosphoryl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)[P@@](=O)(C(Cl)Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C8H15Cl5NOP/c1-5(2)14(6(3)4)16(15,7(9)10)8(11,12)13/h5-7H,1-4H3/t16-/m1/s1
InChIKeySUJQXTPFIMFDQO-MRXNPFEDSA-N
MW349.45 g/mol
LogP5.47
Rot. Bonds4

About N-[dichloromethyl(trichloromethyl)phosphoryl]-N-propan-2-ylpropan-2-amine

N-[dichloromethyl(trichloromethyl)phosphoryl]-N-propan-2-ylpropan-2-amine (PubChem CID 11865217) has the molecular formula C8H15Cl5NOP and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[dichloromethyl(trichloromethyl)phosphoryl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[dichloromethyl(trichloromethyl)phosphoryl]-N-propan-2-ylpropan-2-amine
PubChem CID11865217
Molecular FormulaC8H15Cl5NOP
Molecular Weight349.45 g/mol
Exact Mass346.93
IUPAC NameN-[dichloromethyl(trichloromethyl)phosphoryl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)[P@@](=O)(C(Cl)Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C8H15Cl5NOP/c1-5(2)14(6(3)4)16(15,7(9)10)8(11,12)13/h5-7H,1-4H3/t16-/m1/s1
InChIKeySUJQXTPFIMFDQO-MRXNPFEDSA-N
XLogP5.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.45
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[dichloromethyl(trichloromethyl)phosphoryl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[dichloromethyl(trichloromethyl)phosphoryl]-N-propan-2-ylpropan-2-amine (CID 11865217) is N-[dichloromethyl(trichloromethyl)phosphoryl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[dichloromethyl(trichloromethyl)phosphoryl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[dichloromethyl(trichloromethyl)phosphoryl]-N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)[P@@](=O)(C(Cl)Cl)C(Cl)(Cl)Cl.
What is the InChIKey of N-[dichloromethyl(trichloromethyl)phosphoryl]-N-propan-2-ylpropan-2-amine?
The InChIKey is SUJQXTPFIMFDQO-MRXNPFEDSA-N. The full InChI is InChI=1S/C8H15Cl5NOP/c1-5(2)14(6(3)4)16(15,7(9)10)8(11,12)13/h5-7H,1-4H3/t16-/m1/s1.
What are the key properties of N-[dichloromethyl(trichloromethyl)phosphoryl]-N-propan-2-ylpropan-2-amine?
N-[dichloromethyl(trichloromethyl)phosphoryl]-N-propan-2-ylpropan-2-amine has a molecular weight of 349.45 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dichloromethyl(trichloromethyl)phosphoryl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 11865217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).