5-(3,5-difluorophenyl)spiro[2.3]hexan-5-amine

C12H13F2N — CID 65008174

IUPAC5-(3,5-difluorophenyl)spiro[2.3]hexan-5-amine
SMILESNC1(c2cc(F)cc(F)c2)CC2(CC2)C1
InChIInChI=1S/C12H13F2N/c13-9-3-8(4-10(14)5-9)12(15)6-11(7-12)1-2-11/h3-5H,1-2,6-7,15H2
InChIKeyVPOYIOMPTYQVHE-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.69
Rot. Bonds1

About 5-(3,5-difluorophenyl)spiro[2.3]hexan-5-amine

5-(3,5-difluorophenyl)spiro[2.3]hexan-5-amine (PubChem CID 65008174) has the molecular formula C12H13F2N and a molecular weight of 209.24 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)spiro[2.3]hexan-5-amine.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)spiro[2.3]hexan-5-amine
PubChem CID65008174
Molecular FormulaC12H13F2N
Molecular Weight209.24 g/mol
Exact Mass209.10
IUPAC Name5-(3,5-difluorophenyl)spiro[2.3]hexan-5-amine
SMILESNC1(c2cc(F)cc(F)c2)CC2(CC2)C1
InChIInChI=1S/C12H13F2N/c13-9-3-8(4-10(14)5-9)12(15)6-11(7-12)1-2-11/h3-5H,1-2,6-7,15H2
InChIKeyVPOYIOMPTYQVHE-UHFFFAOYSA-N
XLogP2.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)spiro[2.3]hexan-5-amine?
The IUPAC name of 5-(3,5-difluorophenyl)spiro[2.3]hexan-5-amine (CID 65008174) is 5-(3,5-difluorophenyl)spiro[2.3]hexan-5-amine.
What is the SMILES notation for 5-(3,5-difluorophenyl)spiro[2.3]hexan-5-amine?
The canonical SMILES for 5-(3,5-difluorophenyl)spiro[2.3]hexan-5-amine is NC1(c2cc(F)cc(F)c2)CC2(CC2)C1.
What is the InChIKey of 5-(3,5-difluorophenyl)spiro[2.3]hexan-5-amine?
The InChIKey is VPOYIOMPTYQVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N/c13-9-3-8(4-10(14)5-9)12(15)6-11(7-12)1-2-11/h3-5H,1-2,6-7,15H2.
What are the key properties of 5-(3,5-difluorophenyl)spiro[2.3]hexan-5-amine?
5-(3,5-difluorophenyl)spiro[2.3]hexan-5-amine has a molecular weight of 209.24 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)spiro[2.3]hexan-5-amine is sourced from PubChem (CID 65008174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).