[(2S,8R)-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol

C9H14FNO — CID 167996496

IUPAC[(2S,8R)-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
SMILESC=C1CN2C[C@@H](F)C[C@@]2(CO)C1
InChIInChI=1S/C9H14FNO/c1-7-2-9(6-12)3-8(10)5-11(9)4-7/h8,12H,1-6H2/t8-,9+/m0/s1
InChIKeyZCIMMTFIXZGRTK-DTWKUNHWSA-N
MW171.21 g/mol
LogP0.72
Rot. Bonds1

About [(2S,8R)-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol

[(2S,8R)-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol (PubChem CID 167996496) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is [(2S,8R)-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol.

Molecular Properties

Compound Name[(2S,8R)-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
PubChem CID167996496
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name[(2S,8R)-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
SMILESC=C1CN2C[C@@H](F)C[C@@]2(CO)C1
InChIInChI=1S/C9H14FNO/c1-7-2-9(6-12)3-8(10)5-11(9)4-7/h8,12H,1-6H2/t8-,9+/m0/s1
InChIKeyZCIMMTFIXZGRTK-DTWKUNHWSA-N
XLogP0.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2S,8R)-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

((2R,7aS)-2-Fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 118109097
((2S,7AR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 118109098
[(2R,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 118109100
((2S,7AS)-2-Fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 118109101
(2-Fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 118121031
(6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
CID 123968379
((2R,7aR)-2-Fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 146014107
((2R)-2-Fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 154644291
[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 155487247
(E)-(2-(Fluoromethylene)tetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 162730762
(1-Fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol
CID 163686021
(2-fluoro-6-methylene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
CID 163686023

Frequently Asked Questions

What is the IUPAC name of [(2S,8R)-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol?
The IUPAC name of [(2S,8R)-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol (CID 167996496) is [(2S,8R)-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol.
What is the SMILES notation for [(2S,8R)-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol?
The canonical SMILES for [(2S,8R)-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol is C=C1CN2C[C@@H](F)C[C@@]2(CO)C1.
What is the InChIKey of [(2S,8R)-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol?
The InChIKey is ZCIMMTFIXZGRTK-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H14FNO/c1-7-2-9(6-12)3-8(10)5-11(9)4-7/h8,12H,1-6H2/t8-,9+/m0/s1.
What are the key properties of [(2S,8R)-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol?
[(2S,8R)-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol has a molecular weight of 171.21 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,8R)-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol is sourced from PubChem (CID 167996496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).