(6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol

C8H13F2NO — CID 118109123

IUPAC(6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
SMILESOCC12CCCN1CC(F)(F)C2
InChIInChI=1S/C8H13F2NO/c9-8(10)4-7(6-12)2-1-3-11(7)5-8/h12H,1-6H2
InChIKeyDSFJGMRTAPNJLK-UHFFFAOYSA-N
MW177.19 g/mol
LogP0.85
Rot. Bonds1

About (6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol

(6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol (PubChem CID 118109123) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is (6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol.

Molecular Properties

Compound Name(6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
PubChem CID118109123
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name(6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
SMILESOCC12CCCN1CC(F)(F)C2
InChIInChI=1S/C8H13F2NO/c9-8(10)4-7(6-12)2-1-3-11(7)5-8/h12H,1-6H2
InChIKeyDSFJGMRTAPNJLK-UHFFFAOYSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol?
The IUPAC name of (6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol (CID 118109123) is (6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol.
What is the SMILES notation for (6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol?
The canonical SMILES for (6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol is OCC12CCCN1CC(F)(F)C2.
What is the InChIKey of (6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol?
The InChIKey is DSFJGMRTAPNJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-8(10)4-7(6-12)2-1-3-11(7)5-8/h12H,1-6H2.
What are the key properties of (6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol?
(6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol has a molecular weight of 177.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol is sourced from PubChem (CID 118109123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).