1-(fluoromethyl)azetidin-3-ol

C4H8FNO — CID 163501789

IUPAC1-(fluoromethyl)azetidin-3-ol
SMILESOC1CN(CF)C1
InChIInChI=1S/C4H8FNO/c5-3-6-1-4(7)2-6/h4,7H,1-3H2
InChIKeyCVJZDAMCOJLGOE-UHFFFAOYSA-N
MW105.11 g/mol
LogP-0.41
Rot. Bonds1

About 1-(fluoromethyl)azetidin-3-ol

1-(fluoromethyl)azetidin-3-ol (PubChem CID 163501789) has the molecular formula C4H8FNO and a molecular weight of 105.11 g/mol. Its IUPAC name is 1-(fluoromethyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(fluoromethyl)azetidin-3-ol
PubChem CID163501789
Molecular FormulaC4H8FNO
Molecular Weight105.11 g/mol
Exact Mass105.06
IUPAC Name1-(fluoromethyl)azetidin-3-ol
SMILESOC1CN(CF)C1
InChIInChI=1S/C4H8FNO/c5-3-6-1-4(7)2-6/h4,7H,1-3H2
InChIKeyCVJZDAMCOJLGOE-UHFFFAOYSA-N
XLogP-0.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.11
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)azetidin-3-ol?
The IUPAC name of 1-(fluoromethyl)azetidin-3-ol (CID 163501789) is 1-(fluoromethyl)azetidin-3-ol.
What is the SMILES notation for 1-(fluoromethyl)azetidin-3-ol?
The canonical SMILES for 1-(fluoromethyl)azetidin-3-ol is OC1CN(CF)C1.
What is the InChIKey of 1-(fluoromethyl)azetidin-3-ol?
The InChIKey is CVJZDAMCOJLGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO/c5-3-6-1-4(7)2-6/h4,7H,1-3H2.
What are the key properties of 1-(fluoromethyl)azetidin-3-ol?
1-(fluoromethyl)azetidin-3-ol has a molecular weight of 105.11 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)azetidin-3-ol is sourced from PubChem (CID 163501789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).