4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-1,1,3-trifluoro-2-methylbutan-2-ol

C15H19ClF3NO — CID 70467769

IUPAC4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-1,1,3-trifluoro-2-methylbutan-2-ol
SMILESCC(O)(C(F)F)C(F)C(N)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C15H19ClF3NO/c1-14(21,13(18)19)11(17)12(20)15(7-2-8-15)9-3-5-10(16)6-4-9/h3-6,11-13,21H,2,7-8,20H2,1H3
InChIKeyOGJYYMVPHQBOQA-UHFFFAOYSA-N
MW321.77 g/mol
LogP3.44
Rot. Bonds5

About 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-1,1,3-trifluoro-2-methylbutan-2-ol

4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-1,1,3-trifluoro-2-methylbutan-2-ol (PubChem CID 70467769) has the molecular formula C15H19ClF3NO and a molecular weight of 321.77 g/mol. Its IUPAC name is 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-1,1,3-trifluoro-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-1,1,3-trifluoro-2-methylbutan-2-ol
PubChem CID70467769
Molecular FormulaC15H19ClF3NO
Molecular Weight321.77 g/mol
Exact Mass321.11
IUPAC Name4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-1,1,3-trifluoro-2-methylbutan-2-ol
SMILESCC(O)(C(F)F)C(F)C(N)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C15H19ClF3NO/c1-14(21,13(18)19)11(17)12(20)15(7-2-8-15)9-3-5-10(16)6-4-9/h3-6,11-13,21H,2,7-8,20H2,1H3
InChIKeyOGJYYMVPHQBOQA-UHFFFAOYSA-N
XLogP3.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-1,1,3-trifluoro-2-methylbutan-2-ol?
The IUPAC name of 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-1,1,3-trifluoro-2-methylbutan-2-ol (CID 70467769) is 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-1,1,3-trifluoro-2-methylbutan-2-ol.
What is the SMILES notation for 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-1,1,3-trifluoro-2-methylbutan-2-ol?
The canonical SMILES for 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-1,1,3-trifluoro-2-methylbutan-2-ol is CC(O)(C(F)F)C(F)C(N)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-1,1,3-trifluoro-2-methylbutan-2-ol?
The InChIKey is OGJYYMVPHQBOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3NO/c1-14(21,13(18)19)11(17)12(20)15(7-2-8-15)9-3-5-10(16)6-4-9/h3-6,11-13,21H,2,7-8,20H2,1H3.
What are the key properties of 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-1,1,3-trifluoro-2-methylbutan-2-ol?
4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-1,1,3-trifluoro-2-methylbutan-2-ol has a molecular weight of 321.77 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-1,1,3-trifluoro-2-methylbutan-2-ol is sourced from PubChem (CID 70467769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).