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

C12H17F2NO — CID 171827137

IUPAC(8S)-2-(difluoromethylidene)-8-(ethoxymethyl)-6-methylidene-1,3,5,7-tetrahydropyrrolizine
SMILESC=C1CN2CC(=C(F)F)C[C@]2(COCC)C1
InChIInChI=1S/C12H17F2NO/c1-3-16-8-12-4-9(2)6-15(12)7-10(5-12)11(13)14/h2-8H2,1H3/t12-/m0/s1
InChIKeyRTVZZGWOGYGNIL-LBPRGKRZSA-N
MW229.27 g/mol
LogP2.58
Rot. Bonds3

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

(8S)-2-(difluoromethylidene)-8-(ethoxymethyl)-6-methylidene-1,3,5,7-tetrahydropyrrolizine (PubChem CID 171827137) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is (8S)-2-(difluoromethylidene)-8-(ethoxymethyl)-6-methylidene-1,3,5,7-tetrahydropyrrolizine.

Molecular Properties

Compound Name(8S)-2-(difluoromethylidene)-8-(ethoxymethyl)-6-methylidene-1,3,5,7-tetrahydropyrrolizine
PubChem CID171827137
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name(8S)-2-(difluoromethylidene)-8-(ethoxymethyl)-6-methylidene-1,3,5,7-tetrahydropyrrolizine
SMILESC=C1CN2CC(=C(F)F)C[C@]2(COCC)C1
InChIInChI=1S/C12H17F2NO/c1-3-16-8-12-4-9(2)6-15(12)7-10(5-12)11(13)14/h2-8H2,1H3/t12-/m0/s1
InChIKeyRTVZZGWOGYGNIL-LBPRGKRZSA-N
XLogP2.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.58
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)-8-(ethoxymethyl)-6-methylidene-1,3,5,7-tetrahydropyrrolizine?
The IUPAC name of (8S)-2-(difluoromethylidene)-8-(ethoxymethyl)-6-methylidene-1,3,5,7-tetrahydropyrrolizine (CID 171827137) is (8S)-2-(difluoromethylidene)-8-(ethoxymethyl)-6-methylidene-1,3,5,7-tetrahydropyrrolizine.
What is the SMILES notation for (8S)-2-(difluoromethylidene)-8-(ethoxymethyl)-6-methylidene-1,3,5,7-tetrahydropyrrolizine?
The canonical SMILES for (8S)-2-(difluoromethylidene)-8-(ethoxymethyl)-6-methylidene-1,3,5,7-tetrahydropyrrolizine is C=C1CN2CC(=C(F)F)C[C@]2(COCC)C1.
What is the InChIKey of (8S)-2-(difluoromethylidene)-8-(ethoxymethyl)-6-methylidene-1,3,5,7-tetrahydropyrrolizine?
The InChIKey is RTVZZGWOGYGNIL-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-3-16-8-12-4-9(2)6-15(12)7-10(5-12)11(13)14/h2-8H2,1H3/t12-/m0/s1.
What are the key properties of (8S)-2-(difluoromethylidene)-8-(ethoxymethyl)-6-methylidene-1,3,5,7-tetrahydropyrrolizine?
(8S)-2-(difluoromethylidene)-8-(ethoxymethyl)-6-methylidene-1,3,5,7-tetrahydropyrrolizine has a molecular weight of 229.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-(difluoromethylidene)-8-(ethoxymethyl)-6-methylidene-1,3,5,7-tetrahydropyrrolizine is sourced from PubChem (CID 171827137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).