N-[bis(trichloromethyl)phosphanyl]-N-propan-2-ylpropan-2-amine

C8H14Cl6NP — CID 2305215

IUPACN-[bis(trichloromethyl)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C8H14Cl6NP/c1-5(2)15(6(3)4)16(7(9,10)11)8(12,13)14/h5-6H,1-4H3
InChIKeyDDWZKZQVNFJJKL-UHFFFAOYSA-N
MW367.90 g/mol
LogP6.16
Rot. Bonds3

About N-[bis(trichloromethyl)phosphanyl]-N-propan-2-ylpropan-2-amine

N-[bis(trichloromethyl)phosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 2305215) has the molecular formula C8H14Cl6NP and a molecular weight of 367.90 g/mol. Its IUPAC name is N-[bis(trichloromethyl)phosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[bis(trichloromethyl)phosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID2305215
Molecular FormulaC8H14Cl6NP
Molecular Weight367.90 g/mol
Exact Mass364.90
IUPAC NameN-[bis(trichloromethyl)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C8H14Cl6NP/c1-5(2)15(6(3)4)16(7(9,10)11)8(12,13)14/h5-6H,1-4H3
InChIKeyDDWZKZQVNFJJKL-UHFFFAOYSA-N
XLogP6.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.90
LogP ≤ 56.16
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-[bis(trichloromethyl)phosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[bis(trichloromethyl)phosphanyl]-N-propan-2-ylpropan-2-amine (CID 2305215) is N-[bis(trichloromethyl)phosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[bis(trichloromethyl)phosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[bis(trichloromethyl)phosphanyl]-N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)P(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl.
What is the InChIKey of N-[bis(trichloromethyl)phosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is DDWZKZQVNFJJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl6NP/c1-5(2)15(6(3)4)16(7(9,10)11)8(12,13)14/h5-6H,1-4H3.
What are the key properties of N-[bis(trichloromethyl)phosphanyl]-N-propan-2-ylpropan-2-amine?
N-[bis(trichloromethyl)phosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 367.90 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(trichloromethyl)phosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 2305215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).