1-(difluoromethyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine

C9H16F2N2 — CID 82855656

IUPAC1-(difluoromethyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESCNC1(C(F)F)CCN2CCCC21
InChIInChI=1S/C9H16F2N2/c1-12-9(8(10)11)4-6-13-5-2-3-7(9)13/h7-8,12H,2-6H2,1H3
InChIKeyMLHQECXKEYWXBI-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.08
Rot. Bonds2

About 1-(difluoromethyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine

1-(difluoromethyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (PubChem CID 82855656) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
PubChem CID82855656
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name1-(difluoromethyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESCNC1(C(F)F)CCN2CCCC21
InChIInChI=1S/C9H16F2N2/c1-12-9(8(10)11)4-6-13-5-2-3-7(9)13/h7-8,12H,2-6H2,1H3
InChIKeyMLHQECXKEYWXBI-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The IUPAC name of 1-(difluoromethyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (CID 82855656) is 1-(difluoromethyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.
What is the SMILES notation for 1-(difluoromethyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The canonical SMILES for 1-(difluoromethyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is CNC1(C(F)F)CCN2CCCC21.
What is the InChIKey of 1-(difluoromethyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The InChIKey is MLHQECXKEYWXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-12-9(8(10)11)4-6-13-5-2-3-7(9)13/h7-8,12H,2-6H2,1H3.
What are the key properties of 1-(difluoromethyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
1-(difluoromethyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine has a molecular weight of 190.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is sourced from PubChem (CID 82855656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).