3-(fluoromethyl)azetidin-3-ol;hydrochloride

C4H9ClFNO — CID 135394761

IUPAC3-(fluoromethyl)azetidin-3-ol;hydrochloride
SMILESCl.OC1(CF)CNC1
InChIInChI=1S/C4H8FNO.ClH/c5-1-4(7)2-6-3-4;/h6-7H,1-3H2;1H
InChIKeyYIMFEDCMCMCVAQ-UHFFFAOYSA-N
MW141.57 g/mol
LogP-0.29
Rot. Bonds1

About 3-(fluoromethyl)azetidin-3-ol;hydrochloride

3-(fluoromethyl)azetidin-3-ol;hydrochloride (PubChem CID 135394761) has the molecular formula C4H9ClFNO and a molecular weight of 141.57 g/mol. Its IUPAC name is 3-(fluoromethyl)azetidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(fluoromethyl)azetidin-3-ol;hydrochloride
PubChem CID135394761
Molecular FormulaC4H9ClFNO
Molecular Weight141.57 g/mol
Exact Mass141.04
IUPAC Name3-(fluoromethyl)azetidin-3-ol;hydrochloride
SMILESCl.OC1(CF)CNC1
InChIInChI=1S/C4H8FNO.ClH/c5-1-4(7)2-6-3-4;/h6-7H,1-3H2;1H
InChIKeyYIMFEDCMCMCVAQ-UHFFFAOYSA-N
XLogP-0.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.57
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)azetidin-3-ol;hydrochloride?
The IUPAC name of 3-(fluoromethyl)azetidin-3-ol;hydrochloride (CID 135394761) is 3-(fluoromethyl)azetidin-3-ol;hydrochloride.
What is the SMILES notation for 3-(fluoromethyl)azetidin-3-ol;hydrochloride?
The canonical SMILES for 3-(fluoromethyl)azetidin-3-ol;hydrochloride is Cl.OC1(CF)CNC1.
What is the InChIKey of 3-(fluoromethyl)azetidin-3-ol;hydrochloride?
The InChIKey is YIMFEDCMCMCVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO.ClH/c5-1-4(7)2-6-3-4;/h6-7H,1-3H2;1H.
What are the key properties of 3-(fluoromethyl)azetidin-3-ol;hydrochloride?
3-(fluoromethyl)azetidin-3-ol;hydrochloride has a molecular weight of 141.57 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)azetidin-3-ol;hydrochloride is sourced from PubChem (CID 135394761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).