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

C7H14FNO2 — CID 131219864

IUPAC1-fluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol
SMILESCC1(OCC(O)CF)CNC1
InChIInChI=1S/C7H14FNO2/c1-7(4-9-5-7)11-3-6(10)2-8/h6,9-10H,2-5H2,1H3
InChIKeyKFDCLPLJVHFLSX-UHFFFAOYSA-N
MW163.19 g/mol
LogP-0.30
Rot. Bonds4

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

1-fluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol (PubChem CID 131219864) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is 1-fluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol
PubChem CID131219864
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name1-fluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol
SMILESCC1(OCC(O)CF)CNC1
InChIInChI=1S/C7H14FNO2/c1-7(4-9-5-7)11-3-6(10)2-8/h6,9-10H,2-5H2,1H3
InChIKeyKFDCLPLJVHFLSX-UHFFFAOYSA-N
XLogP-0.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-fluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Azetidin-3-yloxy)ethan-1-ol
CID 67388977
1-(Azetidin-3-yloxy)propan-2-ol hydrochloride
CID 135262522
(3-Methoxyazetidin-3-yl)methanol hydrochloride
CID 137935658
(3-Ethoxyazetidin-3-yl)methanol hydrochloride
CID 139026407
1-(Azetidin-3-yloxy)propan-2-ol
CID 84648125
(3-Methoxyazetidin-3-yl)methanol
CID 105427104
3-Methyl-3-[2-(trifluoromethoxy)ethoxy]azetidine
CID 83066069
3-(Azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol
CID 106939889
1,1,1-Trifluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol
CID 106940629
1-(Azetidin-3-yloxy)-3-fluoropropan-2-ol
CID 130909654
(3-Ethoxyazetidin-3-yl)methanol
CID 139026408
3-(Methoxymethyl)azetidin-3-ol
CID 79576776

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol?
The IUPAC name of 1-fluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol (CID 131219864) is 1-fluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol.
What is the SMILES notation for 1-fluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol?
The canonical SMILES for 1-fluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol is CC1(OCC(O)CF)CNC1.
What is the InChIKey of 1-fluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol?
The InChIKey is KFDCLPLJVHFLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-7(4-9-5-7)11-3-6(10)2-8/h6,9-10H,2-5H2,1H3.
What are the key properties of 1-fluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol?
1-fluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol has a molecular weight of 163.19 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol is sourced from PubChem (CID 131219864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).