4-(3-fluoroazetidin-1-yl)oxolan-3-ol

C7H12FNO2 — CID 126856878

IUPAC4-(3-fluoroazetidin-1-yl)oxolan-3-ol
SMILESOC1COCC1N1CC(F)C1
InChIInChI=1S/C7H12FNO2/c8-5-1-9(2-5)6-3-11-4-7(6)10/h5-7,10H,1-4H2
InChIKeyBNHMOOSFSZDXOB-UHFFFAOYSA-N
MW161.18 g/mol
LogP-0.60
Rot. Bonds1

About 4-(3-fluoroazetidin-1-yl)oxolan-3-ol

4-(3-fluoroazetidin-1-yl)oxolan-3-ol (PubChem CID 126856878) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 4-(3-fluoroazetidin-1-yl)oxolan-3-ol.

Molecular Properties

Compound Name4-(3-fluoroazetidin-1-yl)oxolan-3-ol
PubChem CID126856878
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name4-(3-fluoroazetidin-1-yl)oxolan-3-ol
SMILESOC1COCC1N1CC(F)C1
InChIInChI=1S/C7H12FNO2/c8-5-1-9(2-5)6-3-11-4-7(6)10/h5-7,10H,1-4H2
InChIKeyBNHMOOSFSZDXOB-UHFFFAOYSA-N
XLogP-0.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroazetidin-1-yl)oxolan-3-ol?
The IUPAC name of 4-(3-fluoroazetidin-1-yl)oxolan-3-ol (CID 126856878) is 4-(3-fluoroazetidin-1-yl)oxolan-3-ol.
What is the SMILES notation for 4-(3-fluoroazetidin-1-yl)oxolan-3-ol?
The canonical SMILES for 4-(3-fluoroazetidin-1-yl)oxolan-3-ol is OC1COCC1N1CC(F)C1.
What is the InChIKey of 4-(3-fluoroazetidin-1-yl)oxolan-3-ol?
The InChIKey is BNHMOOSFSZDXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c8-5-1-9(2-5)6-3-11-4-7(6)10/h5-7,10H,1-4H2.
What are the key properties of 4-(3-fluoroazetidin-1-yl)oxolan-3-ol?
4-(3-fluoroazetidin-1-yl)oxolan-3-ol has a molecular weight of 161.18 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroazetidin-1-yl)oxolan-3-ol is sourced from PubChem (CID 126856878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).