[(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol;ethane

C10H19F2NO — CID 164904279

IUPAC[(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol;ethane
SMILESCC.OC[C@@]12CCCN1CC(F)(F)C2
InChIInChI=1S/C8H13F2NO.C2H6/c9-8(10)4-7(6-12)2-1-3-11(7)5-8;1-2/h12H,1-6H2;1-2H3/t7-;/m0./s1
InChIKeyULENNNSKRKVWRM-FJXQXJEOSA-N
MW207.26 g/mol
LogP1.88
Rot. Bonds1

About [(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol;ethane

[(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol;ethane (PubChem CID 164904279) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is [(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol;ethane.

Molecular Properties

Compound Name[(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol;ethane
PubChem CID164904279
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name[(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol;ethane
SMILESCC.OC[C@@]12CCCN1CC(F)(F)C2
InChIInChI=1S/C8H13F2NO.C2H6/c9-8(10)4-7(6-12)2-1-3-11(7)5-8;1-2/h12H,1-6H2;1-2H3/t7-;/m0./s1
InChIKeyULENNNSKRKVWRM-FJXQXJEOSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol;ethane 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

(hexahydro-1H-pyrrolizin-7a-yl)methanol
CID 10844475
((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
(2,2-Difluoro-hexahydro-1H-pyrrolizin-7a-yl)methanol
CID 118109123
(2-Fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 118121031
(2-Ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol
CID 123449239
(2-Fluoro-2-methyltetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 137419734
((2R,7aR)-2-Fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 146014107
(3-(Fluoromethyl)tetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 154644059
((2R)-2-Fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 154644291

Frequently Asked Questions

What is the IUPAC name of [(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol;ethane?
The IUPAC name of [(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol;ethane (CID 164904279) is [(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol;ethane.
What is the SMILES notation for [(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol;ethane?
The canonical SMILES for [(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol;ethane is CC.OC[C@@]12CCCN1CC(F)(F)C2.
What is the InChIKey of [(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol;ethane?
The InChIKey is ULENNNSKRKVWRM-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H13F2NO.C2H6/c9-8(10)4-7(6-12)2-1-3-11(7)5-8;1-2/h12H,1-6H2;1-2H3/t7-;/m0./s1.
What are the key properties of [(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol;ethane?
[(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol;ethane has a molecular weight of 207.26 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol;ethane is sourced from PubChem (CID 164904279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).