(7-fluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-yl)methanol

C9H16FNO — CID 105435532

IUPAC(7-fluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-yl)methanol
SMILESOCC1(F)CCN2CCCC2C1
InChIInChI=1S/C9H16FNO/c10-9(7-12)3-5-11-4-1-2-8(11)6-9/h8,12H,1-7H2
InChIKeyRQWJFNWNKQRRCV-UHFFFAOYSA-N
MW173.23 g/mol
LogP0.95
Rot. Bonds1

About (7-fluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-yl)methanol

(7-fluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-yl)methanol (PubChem CID 105435532) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (7-fluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-yl)methanol.

Molecular Properties

Compound Name(7-fluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-yl)methanol
PubChem CID105435532
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(7-fluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-yl)methanol
SMILESOCC1(F)CCN2CCCC2C1
InChIInChI=1S/C9H16FNO/c10-9(7-12)3-5-11-4-1-2-8(11)6-9/h8,12H,1-7H2
InChIKeyRQWJFNWNKQRRCV-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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Related Compounds

(+)-Tashiromine
CID 11019091
(8-Methyl-8-azabicyclo(3.2.1)octan-3-yl)methanol
CID 22056633
(1-methyl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl)methanol
CID 118733448
2-[(5R,6R,8R,8aR)-6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]ethanol
CID 163022801
(-)-Tashiromine
CID 11051891
3-[(3R,8aR)-3-butyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]propan-1-ol
CID 134827947
[8-(2,2,2-Trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 117812511
((2R,8AS)-2-fluorohexahydroindolizin-8a(1H)-yl)methanol
CID 163323427
[(1R,5S)-8-methyl-8-(2,2,2-trifluoroethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]methanol
CID 169859693
[(3S,8aS)-3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol
CID 170376409
[(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 175853750
[(6R,8aS)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol
CID 175977713

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-yl)methanol?
The IUPAC name of (7-fluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-yl)methanol (CID 105435532) is (7-fluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-yl)methanol.
What is the SMILES notation for (7-fluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-yl)methanol?
The canonical SMILES for (7-fluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-yl)methanol is OCC1(F)CCN2CCCC2C1.
What is the InChIKey of (7-fluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-yl)methanol?
The InChIKey is RQWJFNWNKQRRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c10-9(7-12)3-5-11-4-1-2-8(11)6-9/h8,12H,1-7H2.
What are the key properties of (7-fluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-yl)methanol?
(7-fluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-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 (7-fluoro-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-yl)methanol is sourced from PubChem (CID 105435532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).