1-(3-fluoro-3-methylazetidin-1-yl)-3-methylbutan-2-ol

C9H18FNO — CID 170176023

IUPAC1-(3-fluoro-3-methylazetidin-1-yl)-3-methylbutan-2-ol
SMILESCC(C)C(O)CN1CC(C)(F)C1
InChIInChI=1S/C9H18FNO/c1-7(2)8(12)4-11-5-9(3,10)6-11/h7-8,12H,4-6H2,1-3H3
InChIKeyAULGNYDLUMBIKL-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.05
Rot. Bonds3

About 1-(3-fluoro-3-methylazetidin-1-yl)-3-methylbutan-2-ol

1-(3-fluoro-3-methylazetidin-1-yl)-3-methylbutan-2-ol (PubChem CID 170176023) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-(3-fluoro-3-methylazetidin-1-yl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(3-fluoro-3-methylazetidin-1-yl)-3-methylbutan-2-ol
PubChem CID170176023
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name1-(3-fluoro-3-methylazetidin-1-yl)-3-methylbutan-2-ol
SMILESCC(C)C(O)CN1CC(C)(F)C1
InChIInChI=1S/C9H18FNO/c1-7(2)8(12)4-11-5-9(3,10)6-11/h7-8,12H,4-6H2,1-3H3
InChIKeyAULGNYDLUMBIKL-UHFFFAOYSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-fluoro-3-methylazetidin-1-yl)-3-methylbutan-2-ol?
The IUPAC name of 1-(3-fluoro-3-methylazetidin-1-yl)-3-methylbutan-2-ol (CID 170176023) is 1-(3-fluoro-3-methylazetidin-1-yl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(3-fluoro-3-methylazetidin-1-yl)-3-methylbutan-2-ol?
The canonical SMILES for 1-(3-fluoro-3-methylazetidin-1-yl)-3-methylbutan-2-ol is CC(C)C(O)CN1CC(C)(F)C1.
What is the InChIKey of 1-(3-fluoro-3-methylazetidin-1-yl)-3-methylbutan-2-ol?
The InChIKey is AULGNYDLUMBIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-7(2)8(12)4-11-5-9(3,10)6-11/h7-8,12H,4-6H2,1-3H3.
What are the key properties of 1-(3-fluoro-3-methylazetidin-1-yl)-3-methylbutan-2-ol?
1-(3-fluoro-3-methylazetidin-1-yl)-3-methylbutan-2-ol has a molecular weight of 175.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-3-methylazetidin-1-yl)-3-methylbutan-2-ol is sourced from PubChem (CID 170176023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).