[2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl]methanol

C10H13F2NO — CID 166095840

IUPAC[2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl]methanol
SMILESC=C1CN2CC(=C(F)F)CC2(CO)C1
InChIInChI=1S/C10H13F2NO/c1-7-2-10(6-14)3-8(9(11)12)5-13(10)4-7/h14H,1-6H2
InChIKeyRFEFPQDDDYUHRT-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.53
Rot. Bonds1

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

[2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl]methanol (PubChem CID 166095840) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is [2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl]methanol.

Molecular Properties

Compound Name[2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl]methanol
PubChem CID166095840
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name[2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl]methanol
SMILESC=C1CN2CC(=C(F)F)CC2(CO)C1
InChIInChI=1S/C10H13F2NO/c1-7-2-10(6-14)3-8(9(11)12)5-13(10)4-7/h14H,1-6H2
InChIKeyRFEFPQDDDYUHRT-UHFFFAOYSA-N
XLogP1.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.53
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-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl]methanol?
The IUPAC name of [2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl]methanol (CID 166095840) is [2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl]methanol.
What is the SMILES notation for [2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl]methanol?
The canonical SMILES for [2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl]methanol is C=C1CN2CC(=C(F)F)CC2(CO)C1.
What is the InChIKey of [2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl]methanol?
The InChIKey is RFEFPQDDDYUHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-7-2-10(6-14)3-8(9(11)12)5-13(10)4-7/h14H,1-6H2.
What are the key properties of [2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl]methanol?
[2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl]methanol has a molecular weight of 201.22 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizin-8-yl]methanol is sourced from PubChem (CID 166095840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).