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

C12H20FNO — CID 170771550

IUPAC(6E,8R)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC(C)OC[C@]12CCCN1C/C(=C/F)C2
InChIInChI=1S/C12H20FNO/c1-10(2)15-9-12-4-3-5-14(12)8-11(6-12)7-13/h7,10H,3-6,8-9H2,1-2H3/b11-7+/t12-/m1/s1
InChIKeyMANWLUNOVFIEKP-YTRUQHMWSA-N
MW213.30 g/mol
LogP2.50
Rot. Bonds3

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

(6E,8R)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 170771550) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is (6E,8R)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(6E,8R)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID170771550
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Name(6E,8R)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC(C)OC[C@]12CCCN1C/C(=C/F)C2
InChIInChI=1S/C12H20FNO/c1-10(2)15-9-12-4-3-5-14(12)8-11(6-12)7-13/h7,10H,3-6,8-9H2,1-2H3/b11-7+/t12-/m1/s1
InChIKeyMANWLUNOVFIEKP-YTRUQHMWSA-N
XLogP2.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6E,8R)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (6E,8R)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 170771550) is (6E,8R)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (6E,8R)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (6E,8R)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is CC(C)OC[C@]12CCCN1C/C(=C/F)C2.
What is the InChIKey of (6E,8R)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is MANWLUNOVFIEKP-YTRUQHMWSA-N. The full InChI is InChI=1S/C12H20FNO/c1-10(2)15-9-12-4-3-5-14(12)8-11(6-12)7-13/h7,10H,3-6,8-9H2,1-2H3/b11-7+/t12-/m1/s1.
What are the key properties of (6E,8R)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
(6E,8R)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 213.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8R)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 170771550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).