(6E)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

C13H22FN — CID 163977871

IUPAC(6E)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC/C(F)=C1\CN2CCCC2(CC(C)C)C1
InChIInChI=1S/C13H22FN/c1-10(2)7-13-5-4-6-15(13)9-12(8-13)11(3)14/h10H,4-9H2,1-3H3/b12-11+
InChIKeyHVBOIICHEFVQCT-VAWYXSNFSA-N
MW211.32 g/mol
LogP3.51
Rot. Bonds2

About (6E)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

(6E)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 163977871) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is (6E)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(6E)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID163977871
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name(6E)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC/C(F)=C1\CN2CCCC2(CC(C)C)C1
InChIInChI=1S/C13H22FN/c1-10(2)7-13-5-4-6-15(13)9-12(8-13)11(3)14/h10H,4-9H2,1-3H3/b12-11+
InChIKeyHVBOIICHEFVQCT-VAWYXSNFSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(8R)-8-ethyl-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 162730761
7-Fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine
CID 163418061
(6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163614751
6-(difluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163614752
(6E)-6-(1-fluoroethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163619300
6-Fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine
CID 163977858
(6E)-6-(fluoromethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163977864
2-fluoro-6-methylidene-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163977865
(6Z,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164875903
(6E,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164875923
(8S)-6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164875954
2-fluoro-8-[(E)-3-methylbut-1-enyl]-1,2,3,5,6,7-hexahydropyrrolizine
CID 164922407

Frequently Asked Questions

What is the IUPAC name of (6E)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (6E)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 163977871) is (6E)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (6E)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (6E)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is C/C(F)=C1\CN2CCCC2(CC(C)C)C1.
What is the InChIKey of (6E)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is HVBOIICHEFVQCT-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H22FN/c1-10(2)7-13-5-4-6-15(13)9-12(8-13)11(3)14/h10H,4-9H2,1-3H3/b12-11+.
What are the key properties of (6E)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
(6E)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 211.32 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 163977871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).