[1-(2-fluoroethyl)azetidin-3-yl]methanol

C6H12FNO — CID 80698288

IUPAC[1-(2-fluoroethyl)azetidin-3-yl]methanol
SMILESOCC1CN(CCF)C1
InChIInChI=1S/C6H12FNO/c7-1-2-8-3-6(4-8)5-9/h6,9H,1-5H2
InChIKeyCVBXNAHRBGRIDO-UHFFFAOYSA-N
MW133.17 g/mol
LogP-0.12
Rot. Bonds3

About [1-(2-fluoroethyl)azetidin-3-yl]methanol

[1-(2-fluoroethyl)azetidin-3-yl]methanol (PubChem CID 80698288) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is [1-(2-fluoroethyl)azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-fluoroethyl)azetidin-3-yl]methanol
PubChem CID80698288
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name[1-(2-fluoroethyl)azetidin-3-yl]methanol
SMILESOCC1CN(CCF)C1
InChIInChI=1S/C6H12FNO/c7-1-2-8-3-6(4-8)5-9/h6,9H,1-5H2
InChIKeyCVBXNAHRBGRIDO-UHFFFAOYSA-N
XLogP-0.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroethyl)azetidin-3-yl]methanol?
The IUPAC name of [1-(2-fluoroethyl)azetidin-3-yl]methanol (CID 80698288) is [1-(2-fluoroethyl)azetidin-3-yl]methanol.
What is the SMILES notation for [1-(2-fluoroethyl)azetidin-3-yl]methanol?
The canonical SMILES for [1-(2-fluoroethyl)azetidin-3-yl]methanol is OCC1CN(CCF)C1.
What is the InChIKey of [1-(2-fluoroethyl)azetidin-3-yl]methanol?
The InChIKey is CVBXNAHRBGRIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c7-1-2-8-3-6(4-8)5-9/h6,9H,1-5H2.
What are the key properties of [1-(2-fluoroethyl)azetidin-3-yl]methanol?
[1-(2-fluoroethyl)azetidin-3-yl]methanol has a molecular weight of 133.17 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroethyl)azetidin-3-yl]methanol is sourced from PubChem (CID 80698288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).