1-[[(1S,2R,3R,5R)-2-fluoro-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]methyl]cyclopropan-1-ol

C12H20FNO — CID 178006165

IUPAC1-[[(1S,2R,3R,5R)-2-fluoro-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]methyl]cyclopropan-1-ol
SMILESC[C@@H]1C[C@H]2CC[C@@H]([C@@H]1F)N2CC1(O)CC1
InChIInChI=1S/C12H20FNO/c1-8-6-9-2-3-10(11(8)13)14(9)7-12(15)4-5-12/h8-11,15H,2-7H2,1H3/t8-,9-,10+,11-/m1/s1
InChIKeyPBILJJOJAZQDKU-CHWFTXMASA-N
MW213.30 g/mol
LogP1.72
Rot. Bonds2

About 1-[[(1S,2R,3R,5R)-2-fluoro-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]methyl]cyclopropan-1-ol

1-[[(1S,2R,3R,5R)-2-fluoro-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]methyl]cyclopropan-1-ol (PubChem CID 178006165) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-[[(1S,2R,3R,5R)-2-fluoro-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[(1S,2R,3R,5R)-2-fluoro-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]methyl]cyclopropan-1-ol
PubChem CID178006165
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Name1-[[(1S,2R,3R,5R)-2-fluoro-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]methyl]cyclopropan-1-ol
SMILESC[C@@H]1C[C@H]2CC[C@@H]([C@@H]1F)N2CC1(O)CC1
InChIInChI=1S/C12H20FNO/c1-8-6-9-2-3-10(11(8)13)14(9)7-12(15)4-5-12/h8-11,15H,2-7H2,1H3/t8-,9-,10+,11-/m1/s1
InChIKeyPBILJJOJAZQDKU-CHWFTXMASA-N
XLogP1.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,2R,3R,5R)-2-fluoro-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[(1S,2R,3R,5R)-2-fluoro-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]methyl]cyclopropan-1-ol (CID 178006165) is 1-[[(1S,2R,3R,5R)-2-fluoro-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[(1S,2R,3R,5R)-2-fluoro-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[(1S,2R,3R,5R)-2-fluoro-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]methyl]cyclopropan-1-ol is C[C@@H]1C[C@H]2CC[C@@H]([C@@H]1F)N2CC1(O)CC1.
What is the InChIKey of 1-[[(1S,2R,3R,5R)-2-fluoro-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]methyl]cyclopropan-1-ol?
The InChIKey is PBILJJOJAZQDKU-CHWFTXMASA-N. The full InChI is InChI=1S/C12H20FNO/c1-8-6-9-2-3-10(11(8)13)14(9)7-12(15)4-5-12/h8-11,15H,2-7H2,1H3/t8-,9-,10+,11-/m1/s1.
What are the key properties of 1-[[(1S,2R,3R,5R)-2-fluoro-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]methyl]cyclopropan-1-ol?
1-[[(1S,2R,3R,5R)-2-fluoro-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]methyl]cyclopropan-1-ol has a molecular weight of 213.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,2R,3R,5R)-2-fluoro-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 178006165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).