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

C13H22FNO — CID 163656573

IUPAC(6E)-6-(1-fluoroethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC/C(F)=C1\CN2CCCC2(COC(C)C)C1
InChIInChI=1S/C13H22FNO/c1-10(2)16-9-13-5-4-6-15(13)8-12(7-13)11(3)14/h10H,4-9H2,1-3H3/b12-11+
InChIKeyBASSPFIEHANMQM-VAWYXSNFSA-N
MW227.32 g/mol
LogP2.89
Rot. Bonds3

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

(6E)-6-(1-fluoroethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 163656573) has the molecular formula C13H22FNO and a molecular weight of 227.32 g/mol. Its IUPAC name is (6E)-6-(1-fluoroethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(6E)-6-(1-fluoroethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID163656573
Molecular FormulaC13H22FNO
Molecular Weight227.32 g/mol
Exact Mass227.17
IUPAC Name(6E)-6-(1-fluoroethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC/C(F)=C1\CN2CCCC2(COC(C)C)C1
InChIInChI=1S/C13H22FNO/c1-10(2)16-9-13-5-4-6-15(13)8-12(7-13)11(3)14/h10H,4-9H2,1-3H3/b12-11+
InChIKeyBASSPFIEHANMQM-VAWYXSNFSA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-(1-fluoroethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (6E)-6-(1-fluoroethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 163656573) is (6E)-6-(1-fluoroethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (6E)-6-(1-fluoroethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (6E)-6-(1-fluoroethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is C/C(F)=C1\CN2CCCC2(COC(C)C)C1.
What is the InChIKey of (6E)-6-(1-fluoroethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is BASSPFIEHANMQM-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H22FNO/c1-10(2)16-9-13-5-4-6-15(13)8-12(7-13)11(3)14/h10H,4-9H2,1-3H3/b12-11+.
What are the key properties of (6E)-6-(1-fluoroethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
(6E)-6-(1-fluoroethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 227.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(1-fluoroethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 163656573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).