3-(2-chlorophenyl)-3-fluoro-2-methylbutan-2-amine

C11H15ClFN — CID 105469306

IUPAC3-(2-chlorophenyl)-3-fluoro-2-methylbutan-2-amine
SMILESCC(C)(N)C(C)(F)c1ccccc1Cl
InChIInChI=1S/C11H15ClFN/c1-10(2,14)11(3,13)8-6-4-5-7-9(8)12/h4-7H,14H2,1-3H3
InChIKeyAJFQPALJLOYZIS-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.26
Rot. Bonds2

About 3-(2-chlorophenyl)-3-fluoro-2-methylbutan-2-amine

3-(2-chlorophenyl)-3-fluoro-2-methylbutan-2-amine (PubChem CID 105469306) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-fluoro-2-methylbutan-2-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-fluoro-2-methylbutan-2-amine
PubChem CID105469306
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name3-(2-chlorophenyl)-3-fluoro-2-methylbutan-2-amine
SMILESCC(C)(N)C(C)(F)c1ccccc1Cl
InChIInChI=1S/C11H15ClFN/c1-10(2,14)11(3,13)8-6-4-5-7-9(8)12/h4-7H,14H2,1-3H3
InChIKeyAJFQPALJLOYZIS-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-fluoro-2-methylbutan-2-amine?
The IUPAC name of 3-(2-chlorophenyl)-3-fluoro-2-methylbutan-2-amine (CID 105469306) is 3-(2-chlorophenyl)-3-fluoro-2-methylbutan-2-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-3-fluoro-2-methylbutan-2-amine?
The canonical SMILES for 3-(2-chlorophenyl)-3-fluoro-2-methylbutan-2-amine is CC(C)(N)C(C)(F)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-3-fluoro-2-methylbutan-2-amine?
The InChIKey is AJFQPALJLOYZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-10(2,14)11(3,13)8-6-4-5-7-9(8)12/h4-7H,14H2,1-3H3.
What are the key properties of 3-(2-chlorophenyl)-3-fluoro-2-methylbutan-2-amine?
3-(2-chlorophenyl)-3-fluoro-2-methylbutan-2-amine has a molecular weight of 215.70 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-fluoro-2-methylbutan-2-amine is sourced from PubChem (CID 105469306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).