1-fluoro-3-[(1-methylazetidin-3-yl)amino]propan-2-ol

C7H15FN2O — CID 131219852

IUPAC1-fluoro-3-[(1-methylazetidin-3-yl)amino]propan-2-ol
SMILESCN1CC(NCC(O)CF)C1
InChIInChI=1S/C7H15FN2O/c1-10-4-6(5-10)9-3-7(11)2-8/h6-7,9,11H,2-5H2,1H3
InChIKeySQVBVAHFJOSMDI-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.78
Rot. Bonds4

About 1-fluoro-3-[(1-methylazetidin-3-yl)amino]propan-2-ol

1-fluoro-3-[(1-methylazetidin-3-yl)amino]propan-2-ol (PubChem CID 131219852) has the molecular formula C7H15FN2O and a molecular weight of 162.21 g/mol. Its IUPAC name is 1-fluoro-3-[(1-methylazetidin-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-[(1-methylazetidin-3-yl)amino]propan-2-ol
PubChem CID131219852
Molecular FormulaC7H15FN2O
Molecular Weight162.21 g/mol
Exact Mass162.12
IUPAC Name1-fluoro-3-[(1-methylazetidin-3-yl)amino]propan-2-ol
SMILESCN1CC(NCC(O)CF)C1
InChIInChI=1S/C7H15FN2O/c1-10-4-6(5-10)9-3-7(11)2-8/h6-7,9,11H,2-5H2,1H3
InChIKeySQVBVAHFJOSMDI-UHFFFAOYSA-N
XLogP-0.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[(1-methylazetidin-3-yl)amino]propan-2-ol?
The IUPAC name of 1-fluoro-3-[(1-methylazetidin-3-yl)amino]propan-2-ol (CID 131219852) is 1-fluoro-3-[(1-methylazetidin-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1-fluoro-3-[(1-methylazetidin-3-yl)amino]propan-2-ol?
The canonical SMILES for 1-fluoro-3-[(1-methylazetidin-3-yl)amino]propan-2-ol is CN1CC(NCC(O)CF)C1.
What is the InChIKey of 1-fluoro-3-[(1-methylazetidin-3-yl)amino]propan-2-ol?
The InChIKey is SQVBVAHFJOSMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2O/c1-10-4-6(5-10)9-3-7(11)2-8/h6-7,9,11H,2-5H2,1H3.
What are the key properties of 1-fluoro-3-[(1-methylazetidin-3-yl)amino]propan-2-ol?
1-fluoro-3-[(1-methylazetidin-3-yl)amino]propan-2-ol has a molecular weight of 162.21 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[(1-methylazetidin-3-yl)amino]propan-2-ol is sourced from PubChem (CID 131219852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).