2-(2,3-dichloroprop-2-enylamino)cyclohexan-1-ol

C9H15Cl2NO — CID 79167455

IUPAC2-(2,3-dichloroprop-2-enylamino)cyclohexan-1-ol
SMILESOC1CCCCC1NCC(Cl)=CCl
InChIInChI=1S/C9H15Cl2NO/c10-5-7(11)6-12-8-3-1-2-4-9(8)13/h5,8-9,12-13H,1-4,6H2
InChIKeyTZCAZNARXFQSCJ-UHFFFAOYSA-N
MW224.13 g/mol
LogP2.20
Rot. Bonds3

About 2-(2,3-dichloroprop-2-enylamino)cyclohexan-1-ol

2-(2,3-dichloroprop-2-enylamino)cyclohexan-1-ol (PubChem CID 79167455) has the molecular formula C9H15Cl2NO and a molecular weight of 224.13 g/mol. Its IUPAC name is 2-(2,3-dichloroprop-2-enylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(2,3-dichloroprop-2-enylamino)cyclohexan-1-ol
PubChem CID79167455
Molecular FormulaC9H15Cl2NO
Molecular Weight224.13 g/mol
Exact Mass223.05
IUPAC Name2-(2,3-dichloroprop-2-enylamino)cyclohexan-1-ol
SMILESOC1CCCCC1NCC(Cl)=CCl
InChIInChI=1S/C9H15Cl2NO/c10-5-7(11)6-12-8-3-1-2-4-9(8)13/h5,8-9,12-13H,1-4,6H2
InChIKeyTZCAZNARXFQSCJ-UHFFFAOYSA-N
XLogP2.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroprop-2-enylamino)cyclohexan-1-ol?
The IUPAC name of 2-(2,3-dichloroprop-2-enylamino)cyclohexan-1-ol (CID 79167455) is 2-(2,3-dichloroprop-2-enylamino)cyclohexan-1-ol.
What is the SMILES notation for 2-(2,3-dichloroprop-2-enylamino)cyclohexan-1-ol?
The canonical SMILES for 2-(2,3-dichloroprop-2-enylamino)cyclohexan-1-ol is OC1CCCCC1NCC(Cl)=CCl.
What is the InChIKey of 2-(2,3-dichloroprop-2-enylamino)cyclohexan-1-ol?
The InChIKey is TZCAZNARXFQSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2NO/c10-5-7(11)6-12-8-3-1-2-4-9(8)13/h5,8-9,12-13H,1-4,6H2.
What are the key properties of 2-(2,3-dichloroprop-2-enylamino)cyclohexan-1-ol?
2-(2,3-dichloroprop-2-enylamino)cyclohexan-1-ol has a molecular weight of 224.13 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroprop-2-enylamino)cyclohexan-1-ol is sourced from PubChem (CID 79167455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).