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

C12H20FN — CID 163619300

IUPAC(6E)-6-(1-fluoroethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC/C(F)=C1\CN2CCCC2(C(C)C)C1
InChIInChI=1S/C12H20FN/c1-9(2)12-5-4-6-14(12)8-11(7-12)10(3)13/h9H,4-8H2,1-3H3/b11-10+
InChIKeyFLIZAEAVIDMBFX-ZHACJKMWSA-N
MW197.30 g/mol
LogP3.12
Rot. Bonds1

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

(6E)-6-(1-fluoroethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 163619300) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is (6E)-6-(1-fluoroethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(6E)-6-(1-fluoroethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID163619300
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name(6E)-6-(1-fluoroethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC/C(F)=C1\CN2CCCC2(C(C)C)C1
InChIInChI=1S/C12H20FN/c1-9(2)12-5-4-6-14(12)8-11(7-12)10(3)13/h9H,4-8H2,1-3H3/b11-10+
InChIKeyFLIZAEAVIDMBFX-ZHACJKMWSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-(1-fluoroethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (6E)-6-(1-fluoroethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 163619300) is (6E)-6-(1-fluoroethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (6E)-6-(1-fluoroethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (6E)-6-(1-fluoroethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine is C/C(F)=C1\CN2CCCC2(C(C)C)C1.
What is the InChIKey of (6E)-6-(1-fluoroethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is FLIZAEAVIDMBFX-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H20FN/c1-9(2)12-5-4-6-14(12)8-11(7-12)10(3)13/h9H,4-8H2,1-3H3/b11-10+.
What are the key properties of (6E)-6-(1-fluoroethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine?
(6E)-6-(1-fluoroethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 197.30 g/mol, XLogP of 3.12, 1 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-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 163619300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).