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

C9H16FNO — CID 137419734

IUPAC(6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
SMILESCC1(F)CN2CCCC2(CO)C1
InChIInChI=1S/C9H16FNO/c1-8(10)5-9(7-12)3-2-4-11(9)6-8/h12H,2-7H2,1H3
InChIKeyGUQUJAYPXYKNCA-UHFFFAOYSA-N
MW173.23 g/mol
LogP0.95
Rot. Bonds1

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

(6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol (PubChem CID 137419734) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol.

Molecular Properties

Compound Name(6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
PubChem CID137419734
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
SMILESCC1(F)CN2CCCC2(CO)C1
InChIInChI=1S/C9H16FNO/c1-8(10)5-9(7-12)3-2-4-11(9)6-8/h12H,2-7H2,1H3
InChIKeyGUQUJAYPXYKNCA-UHFFFAOYSA-N
XLogP0.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol?
The IUPAC name of (6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol (CID 137419734) is (6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol.
What is the SMILES notation for (6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol?
The canonical SMILES for (6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol is CC1(F)CN2CCCC2(CO)C1.
What is the InChIKey of (6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol?
The InChIKey is GUQUJAYPXYKNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-8(10)5-9(7-12)3-2-4-11(9)6-8/h12H,2-7H2,1H3.
What are the key properties of (6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol?
(6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol has a molecular weight of 173.23 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol is sourced from PubChem (CID 137419734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).