(2,2-difluoro-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methanol

C9H13F2NO — CID 167494913

IUPAC(2,2-difluoro-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methanol
SMILESC=C1CN2CC(F)(F)CC2(CO)C1
InChIInChI=1S/C9H13F2NO/c1-7-2-8(6-13)4-9(10,11)5-12(8)3-7/h13H,1-6H2
InChIKeyQMRJYUBHMMPXTR-UHFFFAOYSA-N
MW189.20 g/mol
LogP1.02
Rot. Bonds1

About (2,2-difluoro-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methanol

(2,2-difluoro-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methanol (PubChem CID 167494913) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is (2,2-difluoro-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methanol.

Molecular Properties

Compound Name(2,2-difluoro-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methanol
PubChem CID167494913
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC Name(2,2-difluoro-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methanol
SMILESC=C1CN2CC(F)(F)CC2(CO)C1
InChIInChI=1S/C9H13F2NO/c1-7-2-8(6-13)4-9(10,11)5-12(8)3-7/h13H,1-6H2
InChIKeyQMRJYUBHMMPXTR-UHFFFAOYSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 51.02
H-Bond Donors ≤ 51
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 (2,2-difluoro-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methanol?
The IUPAC name of (2,2-difluoro-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methanol (CID 167494913) is (2,2-difluoro-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methanol.
What is the SMILES notation for (2,2-difluoro-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methanol?
The canonical SMILES for (2,2-difluoro-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methanol is C=C1CN2CC(F)(F)CC2(CO)C1.
What is the InChIKey of (2,2-difluoro-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methanol?
The InChIKey is QMRJYUBHMMPXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c1-7-2-8(6-13)4-9(10,11)5-12(8)3-7/h13H,1-6H2.
What are the key properties of (2,2-difluoro-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methanol?
(2,2-difluoro-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methanol has a molecular weight of 189.20 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl)methanol is sourced from PubChem (CID 167494913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).