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

C7H13Cl2NO — CID 83176707

IUPAC3-(2,3-dichloroprop-2-enylamino)butan-1-ol
SMILESCC(CCO)NCC(Cl)=CCl
InChIInChI=1S/C7H13Cl2NO/c1-6(2-3-11)10-5-7(9)4-8/h4,6,10-11H,2-3,5H2,1H3
InChIKeyHNKJRUUGMQHSDP-UHFFFAOYSA-N
MW198.09 g/mol
LogP1.67
Rot. Bonds5

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

3-(2,3-dichloroprop-2-enylamino)butan-1-ol (PubChem CID 83176707) has the molecular formula C7H13Cl2NO and a molecular weight of 198.09 g/mol. Its IUPAC name is 3-(2,3-dichloroprop-2-enylamino)butan-1-ol.

Molecular Properties

Compound Name3-(2,3-dichloroprop-2-enylamino)butan-1-ol
PubChem CID83176707
Molecular FormulaC7H13Cl2NO
Molecular Weight198.09 g/mol
Exact Mass197.04
IUPAC Name3-(2,3-dichloroprop-2-enylamino)butan-1-ol
SMILESCC(CCO)NCC(Cl)=CCl
InChIInChI=1S/C7H13Cl2NO/c1-6(2-3-11)10-5-7(9)4-8/h4,6,10-11H,2-3,5H2,1H3
InChIKeyHNKJRUUGMQHSDP-UHFFFAOYSA-N
XLogP1.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.09
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichloroprop-2-enylamino)butan-1-ol?
The IUPAC name of 3-(2,3-dichloroprop-2-enylamino)butan-1-ol (CID 83176707) is 3-(2,3-dichloroprop-2-enylamino)butan-1-ol.
What is the SMILES notation for 3-(2,3-dichloroprop-2-enylamino)butan-1-ol?
The canonical SMILES for 3-(2,3-dichloroprop-2-enylamino)butan-1-ol is CC(CCO)NCC(Cl)=CCl.
What is the InChIKey of 3-(2,3-dichloroprop-2-enylamino)butan-1-ol?
The InChIKey is HNKJRUUGMQHSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl2NO/c1-6(2-3-11)10-5-7(9)4-8/h4,6,10-11H,2-3,5H2,1H3.
What are the key properties of 3-(2,3-dichloroprop-2-enylamino)butan-1-ol?
3-(2,3-dichloroprop-2-enylamino)butan-1-ol has a molecular weight of 198.09 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichloroprop-2-enylamino)butan-1-ol is sourced from PubChem (CID 83176707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).