(8S)-2-(difluoromethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine

C13H19F2NO — CID 168996122

IUPAC(8S)-2-(difluoromethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine
SMILESC=C1CN2CC(=C(F)F)C[C@]2(COC(C)C)C1
InChIInChI=1S/C13H19F2NO/c1-9(2)17-8-13-4-10(3)6-16(13)7-11(5-13)12(14)15/h9H,3-8H2,1-2H3/t13-/m0/s1
InChIKeyXHFGZPYURXYISV-ZDUSSCGKSA-N
MW243.30 g/mol
LogP2.97
Rot. Bonds3

About (8S)-2-(difluoromethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine

(8S)-2-(difluoromethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine (PubChem CID 168996122) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is (8S)-2-(difluoromethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine.

Molecular Properties

Compound Name(8S)-2-(difluoromethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine
PubChem CID168996122
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name(8S)-2-(difluoromethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine
SMILESC=C1CN2CC(=C(F)F)C[C@]2(COC(C)C)C1
InChIInChI=1S/C13H19F2NO/c1-9(2)17-8-13-4-10(3)6-16(13)7-11(5-13)12(14)15/h9H,3-8H2,1-2H3/t13-/m0/s1
InChIKeyXHFGZPYURXYISV-ZDUSSCGKSA-N
XLogP2.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8S)-2-(difluoromethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine?
The IUPAC name of (8S)-2-(difluoromethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine (CID 168996122) is (8S)-2-(difluoromethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine.
What is the SMILES notation for (8S)-2-(difluoromethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine?
The canonical SMILES for (8S)-2-(difluoromethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine is C=C1CN2CC(=C(F)F)C[C@]2(COC(C)C)C1.
What is the InChIKey of (8S)-2-(difluoromethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine?
The InChIKey is XHFGZPYURXYISV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-9(2)17-8-13-4-10(3)6-16(13)7-11(5-13)12(14)15/h9H,3-8H2,1-2H3/t13-/m0/s1.
What are the key properties of (8S)-2-(difluoromethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine?
(8S)-2-(difluoromethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine has a molecular weight of 243.30 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-(difluoromethylidene)-6-methylidene-8-(propan-2-yloxymethyl)-1,3,5,7-tetrahydropyrrolizine is sourced from PubChem (CID 168996122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).