[5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine

C13H15ClFN — CID 82802471

IUPAC[5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine
SMILESNCC1(c2cccc(Cl)c2F)CC2(CC2)C1
InChIInChI=1S/C13H15ClFN/c14-10-3-1-2-9(11(10)15)13(8-16)6-12(7-13)4-5-12/h1-3H,4-8,16H2
InChIKeyIZMWJJOYBHZYGB-UHFFFAOYSA-N
MW239.72 g/mol
LogP3.25
Rot. Bonds2

About [5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine

[5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine (PubChem CID 82802471) has the molecular formula C13H15ClFN and a molecular weight of 239.72 g/mol. Its IUPAC name is [5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine.

Molecular Properties

Compound Name[5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine
PubChem CID82802471
Molecular FormulaC13H15ClFN
Molecular Weight239.72 g/mol
Exact Mass239.09
IUPAC Name[5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine
SMILESNCC1(c2cccc(Cl)c2F)CC2(CC2)C1
InChIInChI=1S/C13H15ClFN/c14-10-3-1-2-9(11(10)15)13(8-16)6-12(7-13)4-5-12/h1-3H,4-8,16H2
InChIKeyIZMWJJOYBHZYGB-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.72
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine?
The IUPAC name of [5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine (CID 82802471) is [5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine.
What is the SMILES notation for [5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine?
The canonical SMILES for [5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine is NCC1(c2cccc(Cl)c2F)CC2(CC2)C1.
What is the InChIKey of [5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine?
The InChIKey is IZMWJJOYBHZYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN/c14-10-3-1-2-9(11(10)15)13(8-16)6-12(7-13)4-5-12/h1-3H,4-8,16H2.
What are the key properties of [5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine?
[5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine has a molecular weight of 239.72 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine is sourced from PubChem (CID 82802471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).