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

C8H13F2N — CID 175970564

IUPAC6,6-difluoro-7-methyl-1,2,3,5,7,8-hexahydropyrrolizine
SMILESCC1C2CCCN2CC1(F)F
InChIInChI=1S/C8H13F2N/c1-6-7-3-2-4-11(7)5-8(6,9)10/h6-7H,2-5H2,1H3
InChIKeyXBHWIEYKKGIDLZ-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.74
Rot. Bonds

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

6,6-difluoro-7-methyl-1,2,3,5,7,8-hexahydropyrrolizine (PubChem CID 175970564) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 6,6-difluoro-7-methyl-1,2,3,5,7,8-hexahydropyrrolizine.

Molecular Properties

Compound Name6,6-difluoro-7-methyl-1,2,3,5,7,8-hexahydropyrrolizine
PubChem CID175970564
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name6,6-difluoro-7-methyl-1,2,3,5,7,8-hexahydropyrrolizine
SMILESCC1C2CCCN2CC1(F)F
InChIInChI=1S/C8H13F2N/c1-6-7-3-2-4-11(7)5-8(6,9)10/h6-7H,2-5H2,1H3
InChIKeyXBHWIEYKKGIDLZ-UHFFFAOYSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Heliotridane
CID 11094614
1-Methylhexahydro-1H-pyrrolizine
CID 15559671
2-Methylhexahydro-1h-pyrrolizine
CID 231455
(2S,8R)-2-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 10877118
(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
rel-(1R,7aS)-1-methylhexahydro-1H-pyrrolizine
CID 639426
(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)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl-trimethylstannane
CID 134999175
(1S,8R)-1-(deuteriomethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 135059859
1,4-dimethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium
CID 427638

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-7-methyl-1,2,3,5,7,8-hexahydropyrrolizine?
The IUPAC name of 6,6-difluoro-7-methyl-1,2,3,5,7,8-hexahydropyrrolizine (CID 175970564) is 6,6-difluoro-7-methyl-1,2,3,5,7,8-hexahydropyrrolizine.
What is the SMILES notation for 6,6-difluoro-7-methyl-1,2,3,5,7,8-hexahydropyrrolizine?
The canonical SMILES for 6,6-difluoro-7-methyl-1,2,3,5,7,8-hexahydropyrrolizine is CC1C2CCCN2CC1(F)F.
What is the InChIKey of 6,6-difluoro-7-methyl-1,2,3,5,7,8-hexahydropyrrolizine?
The InChIKey is XBHWIEYKKGIDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-6-7-3-2-4-11(7)5-8(6,9)10/h6-7H,2-5H2,1H3.
What are the key properties of 6,6-difluoro-7-methyl-1,2,3,5,7,8-hexahydropyrrolizine?
6,6-difluoro-7-methyl-1,2,3,5,7,8-hexahydropyrrolizine has a molecular weight of 161.19 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-7-methyl-1,2,3,5,7,8-hexahydropyrrolizine is sourced from PubChem (CID 175970564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).