N-(2,3-dichloroprop-2-enyl)oxan-3-amine

C8H13Cl2NO — CID 79167366

IUPACN-(2,3-dichloroprop-2-enyl)oxan-3-amine
SMILESClC=C(Cl)CNC1CCCOC1
InChIInChI=1S/C8H13Cl2NO/c9-4-7(10)5-11-8-2-1-3-12-6-8/h4,8,11H,1-3,5-6H2
InChIKeyKALGFGVLDRUEOU-UHFFFAOYSA-N
MW210.10 g/mol
LogP2.07
Rot. Bonds3

About N-(2,3-dichloroprop-2-enyl)oxan-3-amine

N-(2,3-dichloroprop-2-enyl)oxan-3-amine (PubChem CID 79167366) has the molecular formula C8H13Cl2NO and a molecular weight of 210.10 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)oxan-3-amine.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)oxan-3-amine
PubChem CID79167366
Molecular FormulaC8H13Cl2NO
Molecular Weight210.10 g/mol
Exact Mass209.04
IUPAC NameN-(2,3-dichloroprop-2-enyl)oxan-3-amine
SMILESClC=C(Cl)CNC1CCCOC1
InChIInChI=1S/C8H13Cl2NO/c9-4-7(10)5-11-8-2-1-3-12-6-8/h4,8,11H,1-3,5-6H2
InChIKeyKALGFGVLDRUEOU-UHFFFAOYSA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.10
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloroprop-2-enyl)oxan-3-amine?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)oxan-3-amine (CID 79167366) is N-(2,3-dichloroprop-2-enyl)oxan-3-amine.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)oxan-3-amine?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)oxan-3-amine is ClC=C(Cl)CNC1CCCOC1.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)oxan-3-amine?
The InChIKey is KALGFGVLDRUEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl2NO/c9-4-7(10)5-11-8-2-1-3-12-6-8/h4,8,11H,1-3,5-6H2.
What are the key properties of N-(2,3-dichloroprop-2-enyl)oxan-3-amine?
N-(2,3-dichloroprop-2-enyl)oxan-3-amine has a molecular weight of 210.10 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloroprop-2-enyl)oxan-3-amine is sourced from PubChem (CID 79167366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).