4-amino-4-[1-(3-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol

C15H22FNO — CID 19823671

IUPAC4-amino-4-[1-(3-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol
SMILESCC(C)(O)CC(N)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C15H22FNO/c1-14(2,18)10-13(17)15(7-4-8-15)11-5-3-6-12(16)9-11/h3,5-6,9,13,18H,4,7-8,10,17H2,1-2H3
InChIKeyWEJSBYDQWZPDLC-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.74
Rot. Bonds4

About 4-amino-4-[1-(3-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol

4-amino-4-[1-(3-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol (PubChem CID 19823671) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 4-amino-4-[1-(3-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-amino-4-[1-(3-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol
PubChem CID19823671
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name4-amino-4-[1-(3-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol
SMILESCC(C)(O)CC(N)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C15H22FNO/c1-14(2,18)10-13(17)15(7-4-8-15)11-5-3-6-12(16)9-11/h3,5-6,9,13,18H,4,7-8,10,17H2,1-2H3
InChIKeyWEJSBYDQWZPDLC-UHFFFAOYSA-N
XLogP2.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.74
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-(3-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol?
The IUPAC name of 4-amino-4-[1-(3-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol (CID 19823671) is 4-amino-4-[1-(3-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-amino-4-[1-(3-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol?
The canonical SMILES for 4-amino-4-[1-(3-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol is CC(C)(O)CC(N)C1(c2cccc(F)c2)CCC1.
What is the InChIKey of 4-amino-4-[1-(3-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol?
The InChIKey is WEJSBYDQWZPDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-14(2,18)10-13(17)15(7-4-8-15)11-5-3-6-12(16)9-11/h3,5-6,9,13,18H,4,7-8,10,17H2,1-2H3.
What are the key properties of 4-amino-4-[1-(3-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol?
4-amino-4-[1-(3-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol has a molecular weight of 251.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-[1-(3-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol is sourced from PubChem (CID 19823671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).