3-amino-3-(2,6-dichlorophenyl)cyclobutan-1-ol

C10H11Cl2NO — CID 125458633

IUPAC3-amino-3-(2,6-dichlorophenyl)cyclobutan-1-ol
SMILESNC1(c2c(Cl)cccc2Cl)CC(O)C1
InChIInChI=1S/C10H11Cl2NO/c11-7-2-1-3-8(12)9(7)10(13)4-6(14)5-10/h1-3,6,14H,4-5,13H2
InChIKeyUPVUOGNZUULGEZ-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.30
Rot. Bonds1

About 3-amino-3-(2,6-dichlorophenyl)cyclobutan-1-ol

3-amino-3-(2,6-dichlorophenyl)cyclobutan-1-ol (PubChem CID 125458633) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 3-amino-3-(2,6-dichlorophenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-3-(2,6-dichlorophenyl)cyclobutan-1-ol
PubChem CID125458633
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name3-amino-3-(2,6-dichlorophenyl)cyclobutan-1-ol
SMILESNC1(c2c(Cl)cccc2Cl)CC(O)C1
InChIInChI=1S/C10H11Cl2NO/c11-7-2-1-3-8(12)9(7)10(13)4-6(14)5-10/h1-3,6,14H,4-5,13H2
InChIKeyUPVUOGNZUULGEZ-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2,6-dichlorophenyl)cyclobutan-1-ol?
The IUPAC name of 3-amino-3-(2,6-dichlorophenyl)cyclobutan-1-ol (CID 125458633) is 3-amino-3-(2,6-dichlorophenyl)cyclobutan-1-ol.
What is the SMILES notation for 3-amino-3-(2,6-dichlorophenyl)cyclobutan-1-ol?
The canonical SMILES for 3-amino-3-(2,6-dichlorophenyl)cyclobutan-1-ol is NC1(c2c(Cl)cccc2Cl)CC(O)C1.
What is the InChIKey of 3-amino-3-(2,6-dichlorophenyl)cyclobutan-1-ol?
The InChIKey is UPVUOGNZUULGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c11-7-2-1-3-8(12)9(7)10(13)4-6(14)5-10/h1-3,6,14H,4-5,13H2.
What are the key properties of 3-amino-3-(2,6-dichlorophenyl)cyclobutan-1-ol?
3-amino-3-(2,6-dichlorophenyl)cyclobutan-1-ol has a molecular weight of 232.11 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2,6-dichlorophenyl)cyclobutan-1-ol is sourced from PubChem (CID 125458633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).