(6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine

C8H14F2N2 — CID 118109084

IUPAC(6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine
SMILESNCC12CCCN1CC(F)(F)C2
InChIInChI=1S/C8H14F2N2/c9-8(10)4-7(5-11)2-1-3-12(7)6-8/h1-6,11H2
InChIKeyPFUZGLKIGLJUNK-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.82
Rot. Bonds1

About (6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine

(6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine (PubChem CID 118109084) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is (6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine.

Molecular Properties

Compound Name(6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine
PubChem CID118109084
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name(6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine
SMILESNCC12CCCN1CC(F)(F)C2
InChIInChI=1S/C8H14F2N2/c9-8(10)4-7(5-11)2-1-3-12(7)6-8/h1-6,11H2
InChIKeyPFUZGLKIGLJUNK-UHFFFAOYSA-N
XLogP0.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine?
The IUPAC name of (6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine (CID 118109084) is (6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine.
What is the SMILES notation for (6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine?
The canonical SMILES for (6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine is NCC12CCCN1CC(F)(F)C2.
What is the InChIKey of (6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine?
The InChIKey is PFUZGLKIGLJUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2/c9-8(10)4-7(5-11)2-1-3-12(7)6-8/h1-6,11H2.
What are the key properties of (6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine?
(6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine has a molecular weight of 176.21 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanamine is sourced from PubChem (CID 118109084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).