1-fluoro-3-(3-methoxyazetidin-1-yl)propan-2-ol

C7H14FNO2 — CID 131219838

IUPAC1-fluoro-3-(3-methoxyazetidin-1-yl)propan-2-ol
SMILESCOC1CN(CC(O)CF)C1
InChIInChI=1S/C7H14FNO2/c1-11-7-4-9(5-7)3-6(10)2-8/h6-7,10H,2-5H2,1H3
InChIKeyYSRDCNHTPYIKKW-UHFFFAOYSA-N
MW163.19 g/mol
LogP-0.35
Rot. Bonds4

About 1-fluoro-3-(3-methoxyazetidin-1-yl)propan-2-ol

1-fluoro-3-(3-methoxyazetidin-1-yl)propan-2-ol (PubChem CID 131219838) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is 1-fluoro-3-(3-methoxyazetidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-(3-methoxyazetidin-1-yl)propan-2-ol
PubChem CID131219838
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name1-fluoro-3-(3-methoxyazetidin-1-yl)propan-2-ol
SMILESCOC1CN(CC(O)CF)C1
InChIInChI=1S/C7H14FNO2/c1-11-7-4-9(5-7)3-6(10)2-8/h6-7,10H,2-5H2,1H3
InChIKeyYSRDCNHTPYIKKW-UHFFFAOYSA-N
XLogP-0.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(3-methoxyazetidin-1-yl)propan-2-ol?
The IUPAC name of 1-fluoro-3-(3-methoxyazetidin-1-yl)propan-2-ol (CID 131219838) is 1-fluoro-3-(3-methoxyazetidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-fluoro-3-(3-methoxyazetidin-1-yl)propan-2-ol?
The canonical SMILES for 1-fluoro-3-(3-methoxyazetidin-1-yl)propan-2-ol is COC1CN(CC(O)CF)C1.
What is the InChIKey of 1-fluoro-3-(3-methoxyazetidin-1-yl)propan-2-ol?
The InChIKey is YSRDCNHTPYIKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-11-7-4-9(5-7)3-6(10)2-8/h6-7,10H,2-5H2,1H3.
What are the key properties of 1-fluoro-3-(3-methoxyazetidin-1-yl)propan-2-ol?
1-fluoro-3-(3-methoxyazetidin-1-yl)propan-2-ol has a molecular weight of 163.19 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(3-methoxyazetidin-1-yl)propan-2-ol is sourced from PubChem (CID 131219838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).