1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-2-ol

C9H18FNO — CID 127012049

IUPAC1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)CN1CC(F)C1
InChIInChI=1S/C9H18FNO/c1-9(2,3)8(12)6-11-4-7(10)5-11/h7-8,12H,4-6H2,1-3H3
InChIKeyVUYVQQFKAZVDKN-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.05
Rot. Bonds2

About 1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-2-ol

1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-2-ol (PubChem CID 127012049) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-2-ol
PubChem CID127012049
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)CN1CC(F)C1
InChIInChI=1S/C9H18FNO/c1-9(2,3)8(12)6-11-4-7(10)5-11/h7-8,12H,4-6H2,1-3H3
InChIKeyVUYVQQFKAZVDKN-UHFFFAOYSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-2-ol (CID 127012049) is 1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-2-ol is CC(C)(C)C(O)CN1CC(F)C1.
What is the InChIKey of 1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-2-ol?
The InChIKey is VUYVQQFKAZVDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-9(2,3)8(12)6-11-4-7(10)5-11/h7-8,12H,4-6H2,1-3H3.
What are the key properties of 1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-2-ol?
1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-2-ol has a molecular weight of 175.25 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 127012049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).