[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine

C9H15F3N2 — CID 90353584

IUPAC[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
SMILESNCC1C2CN(CCC(F)(F)F)CC12
InChIInChI=1S/C9H15F3N2/c10-9(11,12)1-2-14-4-7-6(3-13)8(7)5-14/h6-8H,1-5,13H2
InChIKeyCGHDGQPDKRIYOB-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.08
Rot. Bonds3

About [3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine

[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine (PubChem CID 90353584) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is [3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine.

Molecular Properties

Compound Name[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
PubChem CID90353584
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
SMILESNCC1C2CN(CCC(F)(F)F)CC12
InChIInChI=1S/C9H15F3N2/c10-9(11,12)1-2-14-4-7-6(3-13)8(7)5-14/h6-8H,1-5,13H2
InChIKeyCGHDGQPDKRIYOB-UHFFFAOYSA-N
XLogP1.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
The IUPAC name of [3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine (CID 90353584) is [3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine.
What is the SMILES notation for [3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
The canonical SMILES for [3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine is NCC1C2CN(CCC(F)(F)F)CC12.
What is the InChIKey of [3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
The InChIKey is CGHDGQPDKRIYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2/c10-9(11,12)1-2-14-4-7-6(3-13)8(7)5-14/h6-8H,1-5,13H2.
What are the key properties of [3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine has a molecular weight of 208.23 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine is sourced from PubChem (CID 90353584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).