1-[azetidin-3-yl(methyl)amino]-3-fluoropropan-2-ol

C7H15FN2O — CID 131219839

IUPAC1-[azetidin-3-yl(methyl)amino]-3-fluoropropan-2-ol
SMILESCN(CC(O)CF)C1CNC1
InChIInChI=1S/C7H15FN2O/c1-10(5-7(11)2-8)6-3-9-4-6/h6-7,9,11H,2-5H2,1H3
InChIKeyKFOYYVOUKNNIBY-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.78
Rot. Bonds4

About 1-[azetidin-3-yl(methyl)amino]-3-fluoropropan-2-ol

1-[azetidin-3-yl(methyl)amino]-3-fluoropropan-2-ol (PubChem CID 131219839) has the molecular formula C7H15FN2O and a molecular weight of 162.21 g/mol. Its IUPAC name is 1-[azetidin-3-yl(methyl)amino]-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-[azetidin-3-yl(methyl)amino]-3-fluoropropan-2-ol
PubChem CID131219839
Molecular FormulaC7H15FN2O
Molecular Weight162.21 g/mol
Exact Mass162.12
IUPAC Name1-[azetidin-3-yl(methyl)amino]-3-fluoropropan-2-ol
SMILESCN(CC(O)CF)C1CNC1
InChIInChI=1S/C7H15FN2O/c1-10(5-7(11)2-8)6-3-9-4-6/h6-7,9,11H,2-5H2,1H3
InChIKeyKFOYYVOUKNNIBY-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-[azetidin-3-yl(methyl)amino]-3-fluoropropan-2-ol?
The IUPAC name of 1-[azetidin-3-yl(methyl)amino]-3-fluoropropan-2-ol (CID 131219839) is 1-[azetidin-3-yl(methyl)amino]-3-fluoropropan-2-ol.
What is the SMILES notation for 1-[azetidin-3-yl(methyl)amino]-3-fluoropropan-2-ol?
The canonical SMILES for 1-[azetidin-3-yl(methyl)amino]-3-fluoropropan-2-ol is CN(CC(O)CF)C1CNC1.
What is the InChIKey of 1-[azetidin-3-yl(methyl)amino]-3-fluoropropan-2-ol?
The InChIKey is KFOYYVOUKNNIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2O/c1-10(5-7(11)2-8)6-3-9-4-6/h6-7,9,11H,2-5H2,1H3.
What are the key properties of 1-[azetidin-3-yl(methyl)amino]-3-fluoropropan-2-ol?
1-[azetidin-3-yl(methyl)amino]-3-fluoropropan-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-[azetidin-3-yl(methyl)amino]-3-fluoropropan-2-ol is sourced from PubChem (CID 131219839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).