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

C13H16FN — CID 65008487

IUPAC[5-(2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine
SMILESNCC1(c2ccccc2F)CC2(CC2)C1
InChIInChI=1S/C13H16FN/c14-11-4-2-1-3-10(11)13(9-15)7-12(8-13)5-6-12/h1-4H,5-9,15H2
InChIKeyFWRALJRMEWUBPL-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.60
Rot. Bonds2

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

[5-(2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine (PubChem CID 65008487) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is [5-(2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine.

Molecular Properties

Compound Name[5-(2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine
PubChem CID65008487
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name[5-(2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine
SMILESNCC1(c2ccccc2F)CC2(CC2)C1
InChIInChI=1S/C13H16FN/c14-11-4-2-1-3-10(11)13(9-15)7-12(8-13)5-6-12/h1-4H,5-9,15H2
InChIKeyFWRALJRMEWUBPL-UHFFFAOYSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine?
The IUPAC name of [5-(2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine (CID 65008487) is [5-(2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine.
What is the SMILES notation for [5-(2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine?
The canonical SMILES for [5-(2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine is NCC1(c2ccccc2F)CC2(CC2)C1.
What is the InChIKey of [5-(2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine?
The InChIKey is FWRALJRMEWUBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c14-11-4-2-1-3-10(11)13(9-15)7-12(8-13)5-6-12/h1-4H,5-9,15H2.
What are the key properties of [5-(2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine?
[5-(2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine has a molecular weight of 205.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine is sourced from PubChem (CID 65008487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).