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

C11H18FN — CID 163614751

IUPAC(6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC(C)C12CCCN1C/C(=C/F)C2
InChIInChI=1S/C11H18FN/c1-9(2)11-4-3-5-13(11)8-10(6-11)7-12/h7,9H,3-6,8H2,1-2H3/b10-7+
InChIKeyLOQPARFFXJBRQO-JXMROGBWSA-N
MW183.27 g/mol
LogP2.73
Rot. Bonds1

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

(6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 163614751) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID163614751
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC(C)C12CCCN1C/C(=C/F)C2
InChIInChI=1S/C11H18FN/c1-9(2)11-4-3-5-13(11)8-10(6-11)7-12/h7,9H,3-6,8H2,1-2H3/b10-7+
InChIKeyLOQPARFFXJBRQO-JXMROGBWSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 163614751) is (6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine is CC(C)C12CCCN1C/C(=C/F)C2.
What is the InChIKey of (6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is LOQPARFFXJBRQO-JXMROGBWSA-N. The full InChI is InChI=1S/C11H18FN/c1-9(2)11-4-3-5-13(11)8-10(6-11)7-12/h7,9H,3-6,8H2,1-2H3/b10-7+.
What are the key properties of (6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine?
(6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 183.27 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 163614751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).