1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylethenamine

C9H13F2N — CID 175611558

IUPAC1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylethenamine
SMILESC=C(NC)C1CC2(C1)CC2(F)F
InChIInChI=1S/C9H13F2N/c1-6(12-2)7-3-8(4-7)5-9(8,10)11/h7,12H,1,3-5H2,2H3
InChIKeyFTRRELHMOIBUTR-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.15
Rot. Bonds2

About 1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylethenamine

1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylethenamine (PubChem CID 175611558) has the molecular formula C9H13F2N and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylethenamine.

Molecular Properties

Compound Name1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylethenamine
PubChem CID175611558
Molecular FormulaC9H13F2N
Molecular Weight173.21 g/mol
Exact Mass173.10
IUPAC Name1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylethenamine
SMILESC=C(NC)C1CC2(C1)CC2(F)F
InChIInChI=1S/C9H13F2N/c1-6(12-2)7-3-8(4-7)5-9(8,10)11/h7,12H,1,3-5H2,2H3
InChIKeyFTRRELHMOIBUTR-UHFFFAOYSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylethenamine?
The IUPAC name of 1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylethenamine (CID 175611558) is 1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylethenamine.
What is the SMILES notation for 1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylethenamine?
The canonical SMILES for 1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylethenamine is C=C(NC)C1CC2(C1)CC2(F)F.
What is the InChIKey of 1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylethenamine?
The InChIKey is FTRRELHMOIBUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N/c1-6(12-2)7-3-8(4-7)5-9(8,10)11/h7,12H,1,3-5H2,2H3.
What are the key properties of 1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylethenamine?
1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylethenamine has a molecular weight of 173.21 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylethenamine is sourced from PubChem (CID 175611558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).