[(1S)-6,6-difluoro-1,2,3,5,7,8-hexahydropyrrolizin-1-yl]methanamine

C8H14F2N2 — CID 118109083

IUPAC[(1S)-6,6-difluoro-1,2,3,5,7,8-hexahydropyrrolizin-1-yl]methanamine
SMILESNC[C@@H]1CCN2CC(F)(F)CC12
InChIInChI=1S/C8H14F2N2/c9-8(10)3-7-6(4-11)1-2-12(7)5-8/h6-7H,1-5,11H2/t6-,7?/m0/s1
InChIKeyRQCBPJFGVVJRCA-PKPIPKONSA-N
MW176.21 g/mol
LogP0.67
Rot. Bonds1

About [(1S)-6,6-difluoro-1,2,3,5,7,8-hexahydropyrrolizin-1-yl]methanamine

[(1S)-6,6-difluoro-1,2,3,5,7,8-hexahydropyrrolizin-1-yl]methanamine (PubChem CID 118109083) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is [(1S)-6,6-difluoro-1,2,3,5,7,8-hexahydropyrrolizin-1-yl]methanamine.

Molecular Properties

Compound Name[(1S)-6,6-difluoro-1,2,3,5,7,8-hexahydropyrrolizin-1-yl]methanamine
PubChem CID118109083
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name[(1S)-6,6-difluoro-1,2,3,5,7,8-hexahydropyrrolizin-1-yl]methanamine
SMILESNC[C@@H]1CCN2CC(F)(F)CC12
InChIInChI=1S/C8H14F2N2/c9-8(10)3-7-6(4-11)1-2-12(7)5-8/h6-7H,1-5,11H2/t6-,7?/m0/s1
InChIKeyRQCBPJFGVVJRCA-PKPIPKONSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 101494997
(1S,8S)-1-(trifluoromethyl)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium
CID 134964432
5,5-Difluoro-2-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-4-amine
CID 20763675
(2,2-Difluoro-hexahydro-1H-pyrrolizin-7a-yl)methanamine
CID 118109084
3,3-Difluoro-5-methyl-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole
CID 166797058
[2-(Difluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
CID 168881463
2-(4,4-Difluoropyrrolidin-3-yl)-3,3-difluoropyrrolidine
CID 169969300
3a-Fluoro-2,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 171531511
(3aR,6aR)-3a-fluoro-2,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 171531719
6,6-Difluoro-7-methyl-1,2,3,5,7,8-hexahydropyrrolizine
CID 175970564
(6-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)methanamine
CID 176383140
fluoro(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)methanamine
CID 176776273

Frequently Asked Questions

What is the IUPAC name of [(1S)-6,6-difluoro-1,2,3,5,7,8-hexahydropyrrolizin-1-yl]methanamine?
The IUPAC name of [(1S)-6,6-difluoro-1,2,3,5,7,8-hexahydropyrrolizin-1-yl]methanamine (CID 118109083) is [(1S)-6,6-difluoro-1,2,3,5,7,8-hexahydropyrrolizin-1-yl]methanamine.
What is the SMILES notation for [(1S)-6,6-difluoro-1,2,3,5,7,8-hexahydropyrrolizin-1-yl]methanamine?
The canonical SMILES for [(1S)-6,6-difluoro-1,2,3,5,7,8-hexahydropyrrolizin-1-yl]methanamine is NC[C@@H]1CCN2CC(F)(F)CC12.
What is the InChIKey of [(1S)-6,6-difluoro-1,2,3,5,7,8-hexahydropyrrolizin-1-yl]methanamine?
The InChIKey is RQCBPJFGVVJRCA-PKPIPKONSA-N. The full InChI is InChI=1S/C8H14F2N2/c9-8(10)3-7-6(4-11)1-2-12(7)5-8/h6-7H,1-5,11H2/t6-,7?/m0/s1.
What are the key properties of [(1S)-6,6-difluoro-1,2,3,5,7,8-hexahydropyrrolizin-1-yl]methanamine?
[(1S)-6,6-difluoro-1,2,3,5,7,8-hexahydropyrrolizin-1-yl]methanamine has a molecular weight of 176.21 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-6,6-difluoro-1,2,3,5,7,8-hexahydropyrrolizin-1-yl]methanamine is sourced from PubChem (CID 118109083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).