(1R)-1-(2-dichlorophosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine

C9H14Cl2NP — CID 89323509

IUPAC(1R)-1-(2-dichlorophosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine
SMILESC[C@H](C1C=CC=C1P(Cl)Cl)N(C)C
InChIInChI=1S/C9H14Cl2NP/c1-7(12(2)3)8-5-4-6-9(8)13(10)11/h4-8H,1-3H3/t7-,8?/m1/s1
InChIKeyHJIYFRXGMPYIAH-GVHYBUMESA-N
MW238.10 g/mol
LogP3.80
Rot. Bonds3

About (1R)-1-(2-dichlorophosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine

(1R)-1-(2-dichlorophosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine (PubChem CID 89323509) has the molecular formula C9H14Cl2NP and a molecular weight of 238.10 g/mol. Its IUPAC name is (1R)-1-(2-dichlorophosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name(1R)-1-(2-dichlorophosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine
PubChem CID89323509
Molecular FormulaC9H14Cl2NP
Molecular Weight238.10 g/mol
Exact Mass237.02
IUPAC Name(1R)-1-(2-dichlorophosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine
SMILESC[C@H](C1C=CC=C1P(Cl)Cl)N(C)C
InChIInChI=1S/C9H14Cl2NP/c1-7(12(2)3)8-5-4-6-9(8)13(10)11/h4-8H,1-3H3/t7-,8?/m1/s1
InChIKeyHJIYFRXGMPYIAH-GVHYBUMESA-N
XLogP3.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.10
LogP ≤ 53.80
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 (1R)-1-(2-dichlorophosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine?
The IUPAC name of (1R)-1-(2-dichlorophosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine (CID 89323509) is (1R)-1-(2-dichlorophosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for (1R)-1-(2-dichlorophosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for (1R)-1-(2-dichlorophosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine is C[C@H](C1C=CC=C1P(Cl)Cl)N(C)C.
What is the InChIKey of (1R)-1-(2-dichlorophosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine?
The InChIKey is HJIYFRXGMPYIAH-GVHYBUMESA-N. The full InChI is InChI=1S/C9H14Cl2NP/c1-7(12(2)3)8-5-4-6-9(8)13(10)11/h4-8H,1-3H3/t7-,8?/m1/s1.
What are the key properties of (1R)-1-(2-dichlorophosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine?
(1R)-1-(2-dichlorophosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine has a molecular weight of 238.10 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-dichlorophosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 89323509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).