(6Z)-6-(fluoromethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

C12H20FN — CID 170073257

IUPAC(6Z)-6-(fluoromethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC(C)CC12CCCN1C/C(=C\F)C2
InChIInChI=1S/C12H20FN/c1-10(2)6-12-4-3-5-14(12)9-11(7-12)8-13/h8,10H,3-7,9H2,1-2H3/b11-8-
InChIKeyHVGCIQOHTKFYDY-FLIBITNWSA-N
MW197.30 g/mol
LogP3.12
Rot. Bonds2

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

(6Z)-6-(fluoromethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 170073257) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is (6Z)-6-(fluoromethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(6Z)-6-(fluoromethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID170073257
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name(6Z)-6-(fluoromethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC(C)CC12CCCN1C/C(=C\F)C2
InChIInChI=1S/C12H20FN/c1-10(2)6-12-4-3-5-14(12)9-11(7-12)8-13/h8,10H,3-7,9H2,1-2H3/b11-8-
InChIKeyHVGCIQOHTKFYDY-FLIBITNWSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 (6Z)-6-(fluoromethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (6Z)-6-(fluoromethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 170073257) is (6Z)-6-(fluoromethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (6Z)-6-(fluoromethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (6Z)-6-(fluoromethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is CC(C)CC12CCCN1C/C(=C\F)C2.
What is the InChIKey of (6Z)-6-(fluoromethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is HVGCIQOHTKFYDY-FLIBITNWSA-N. The full InChI is InChI=1S/C12H20FN/c1-10(2)6-12-4-3-5-14(12)9-11(7-12)8-13/h8,10H,3-7,9H2,1-2H3/b11-8-.
What are the key properties of (6Z)-6-(fluoromethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
(6Z)-6-(fluoromethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 197.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(fluoromethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 170073257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).