(6E,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine

C9H14FN — CID 164875923

IUPAC(6E,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC[C@@]12CCCN1C/C(=C/F)C2
InChIInChI=1S/C9H14FN/c1-9-3-2-4-11(9)7-8(5-9)6-10/h6H,2-5,7H2,1H3/b8-6+/t9-/m0/s1
InChIKeySCRDVKBLDGCJCI-ORZBULNSSA-N
MW155.22 g/mol
LogP2.10
Rot. Bonds

About (6E,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine

(6E,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 164875923) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (6E,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(6E,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID164875923
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(6E,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC[C@@]12CCCN1C/C(=C/F)C2
InChIInChI=1S/C9H14FN/c1-9-3-2-4-11(9)7-8(5-9)6-10/h6H,2-5,7H2,1H3/b8-6+/t9-/m0/s1
InChIKeySCRDVKBLDGCJCI-ORZBULNSSA-N
XLogP2.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Fluoro-8-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 162730748
(8R)-8-ethyl-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 162730761
(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
6,6-difluoro-8-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163623853
(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
(6E)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163977871
(6Z,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164875903
(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,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (6E,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 164875923) is (6E,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (6E,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (6E,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine is C[C@@]12CCCN1C/C(=C/F)C2.
What is the InChIKey of (6E,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is SCRDVKBLDGCJCI-ORZBULNSSA-N. The full InChI is InChI=1S/C9H14FN/c1-9-3-2-4-11(9)7-8(5-9)6-10/h6H,2-5,7H2,1H3/b8-6+/t9-/m0/s1.
What are the key properties of (6E,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
(6E,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 155.22 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 164875923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).