(2R,6R)-2,6-difluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine

C11H19F2N — CID 176776231

IUPAC(2R,6R)-2,6-difluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)CC12C[C@@H](F)CN1C[C@H](F)C2
InChIInChI=1S/C11H19F2N/c1-8(2)3-11-4-9(12)6-14(11)7-10(13)5-11/h8-10H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeySLWZTIABZCFMCX-NXEZZACHSA-N
MW203.28 g/mol
LogP2.56
Rot. Bonds2

About (2R,6R)-2,6-difluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine

(2R,6R)-2,6-difluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 176776231) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is (2R,6R)-2,6-difluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name(2R,6R)-2,6-difluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID176776231
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(2R,6R)-2,6-difluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)CC12C[C@@H](F)CN1C[C@H](F)C2
InChIInChI=1S/C11H19F2N/c1-8(2)3-11-4-9(12)6-14(11)7-10(13)5-11/h8-10H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeySLWZTIABZCFMCX-NXEZZACHSA-N
XLogP2.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,8R)-2-fluoro-7,7-dimethyl-8-(2-methylpropyl)-2,3,5,6-tetrahydro-1H-pyrrolizine
CID 176776146
(2R,8R)-5,5-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizine
CID 176776126
(1S,6R,8R)-6-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine-1-carbonitrile
CID 176776395
3-fluoro-5-propan-2-yl-1-azabicyclo[3.2.0]heptane
CID 170421734
[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
CID 118109110
(2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 163256465
(2-fluoro-6,6-dimethyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
CID 155487742
[(2R,8R)-2-fluoro-6,6-dimethyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 174267695
(2S,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164878427
8-ethyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
CID 165123955
(2R,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164903949
(2R,8S)-8-(1-ethoxyethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;methane
CID 177009819

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-difluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of (2R,6R)-2,6-difluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 176776231) is (2R,6R)-2,6-difluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for (2R,6R)-2,6-difluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for (2R,6R)-2,6-difluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine is CC(C)CC12C[C@@H](F)CN1C[C@H](F)C2.
What is the InChIKey of (2R,6R)-2,6-difluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is SLWZTIABZCFMCX-NXEZZACHSA-N. The full InChI is InChI=1S/C11H19F2N/c1-8(2)3-11-4-9(12)6-14(11)7-10(13)5-11/h8-10H,3-7H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (2R,6R)-2,6-difluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine?
(2R,6R)-2,6-difluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 203.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-difluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 176776231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).