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

C9H15Cl2NO — CID 104940456

IUPAC3-(2,3-dichloroprop-2-enylamino)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCC(Cl)=CCl
InChIInChI=1S/C9H15Cl2NO/c1-9(2)7(3-8(9)13)12-5-6(11)4-10/h4,7-8,12-13H,3,5H2,1-2H3
InChIKeyWOFSGSPBMUKGIW-UHFFFAOYSA-N
MW224.13 g/mol
LogP2.05
Rot. Bonds3

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

3-(2,3-dichloroprop-2-enylamino)-2,2-dimethylcyclobutan-1-ol (PubChem CID 104940456) has the molecular formula C9H15Cl2NO and a molecular weight of 224.13 g/mol. Its IUPAC name is 3-(2,3-dichloroprop-2-enylamino)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(2,3-dichloroprop-2-enylamino)-2,2-dimethylcyclobutan-1-ol
PubChem CID104940456
Molecular FormulaC9H15Cl2NO
Molecular Weight224.13 g/mol
Exact Mass223.05
IUPAC Name3-(2,3-dichloroprop-2-enylamino)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCC(Cl)=CCl
InChIInChI=1S/C9H15Cl2NO/c1-9(2)7(3-8(9)13)12-5-6(11)4-10/h4,7-8,12-13H,3,5H2,1-2H3
InChIKeyWOFSGSPBMUKGIW-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
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)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(2,3-dichloroprop-2-enylamino)-2,2-dimethylcyclobutan-1-ol (CID 104940456) is 3-(2,3-dichloroprop-2-enylamino)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(2,3-dichloroprop-2-enylamino)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(2,3-dichloroprop-2-enylamino)-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1NCC(Cl)=CCl.
What is the InChIKey of 3-(2,3-dichloroprop-2-enylamino)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is WOFSGSPBMUKGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2NO/c1-9(2)7(3-8(9)13)12-5-6(11)4-10/h4,7-8,12-13H,3,5H2,1-2H3.
What are the key properties of 3-(2,3-dichloroprop-2-enylamino)-2,2-dimethylcyclobutan-1-ol?
3-(2,3-dichloroprop-2-enylamino)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 224.13 g/mol, XLogP of 2.05, 3 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)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 104940456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).