2,6-difluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine

C8H13F2N — CID 165123842

IUPAC2,6-difluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC12CC(F)CN1CC(F)C2
InChIInChI=1S/C8H13F2N/c1-8-2-6(9)4-11(8)5-7(10)3-8/h6-7H,2-5H2,1H3
InChIKeySUZCJQRBQUKSNS-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.53
Rot. Bonds

About 2,6-difluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine

2,6-difluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 165123842) has the molecular formula C8H13F2N and a molecular weight of 161.20 g/mol. Its IUPAC name is 2,6-difluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name2,6-difluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID165123842
Molecular FormulaC8H13F2N
Molecular Weight161.20 g/mol
Exact Mass161.10
IUPAC Name2,6-difluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC12CC(F)CN1CC(F)C2
InChIInChI=1S/C8H13F2N/c1-8-2-6(9)4-11(8)5-7(10)3-8/h6-7H,2-5H2,1H3
InChIKeySUZCJQRBQUKSNS-UHFFFAOYSA-N
XLogP1.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Heliotridane
CID 11094614
1-Methylhexahydro-1H-pyrrolizine
CID 15559671
7a-Methyl-hexahydro-pyrrolizine
CID 13759523
(1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 101494997
rel-(1R,7aS)-1-methylhexahydro-1H-pyrrolizine
CID 639426
(3R,8R)-3,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 10773056
(1R,8R)-1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 11643928
(1S,7AR)-1-methylhexahydro-1H-pyrrolizine
CID 11815356
(1S,8R)-1-(deuteriomethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 135059859
(3R,8S)-3-ethyl-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 134980453
6,6-difluoro-8-(iodomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 156206195
(8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 156645435

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 2,6-difluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine (CID 165123842) is 2,6-difluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 2,6-difluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 2,6-difluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine is CC12CC(F)CN1CC(F)C2.
What is the InChIKey of 2,6-difluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is SUZCJQRBQUKSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-8-2-6(9)4-11(8)5-7(10)3-8/h6-7H,2-5H2,1H3.
What are the key properties of 2,6-difluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?
2,6-difluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 161.20 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 165123842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).