3-(3-fluoroazetidin-1-yl)butan-2-ol

C7H14FNO — CID 131085796

IUPAC3-(3-fluoroazetidin-1-yl)butan-2-ol
SMILESCC(O)C(C)N1CC(F)C1
InChIInChI=1S/C7H14FNO/c1-5(6(2)10)9-3-7(8)4-9/h5-7,10H,3-4H2,1-2H3
InChIKeyAKULZKMNNLQIAW-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.41
Rot. Bonds2

About 3-(3-fluoroazetidin-1-yl)butan-2-ol

3-(3-fluoroazetidin-1-yl)butan-2-ol (PubChem CID 131085796) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 3-(3-fluoroazetidin-1-yl)butan-2-ol.

Molecular Properties

Compound Name3-(3-fluoroazetidin-1-yl)butan-2-ol
PubChem CID131085796
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name3-(3-fluoroazetidin-1-yl)butan-2-ol
SMILESCC(O)C(C)N1CC(F)C1
InChIInChI=1S/C7H14FNO/c1-5(6(2)10)9-3-7(8)4-9/h5-7,10H,3-4H2,1-2H3
InChIKeyAKULZKMNNLQIAW-UHFFFAOYSA-N
XLogP0.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroazetidin-1-yl)butan-2-ol?
The IUPAC name of 3-(3-fluoroazetidin-1-yl)butan-2-ol (CID 131085796) is 3-(3-fluoroazetidin-1-yl)butan-2-ol.
What is the SMILES notation for 3-(3-fluoroazetidin-1-yl)butan-2-ol?
The canonical SMILES for 3-(3-fluoroazetidin-1-yl)butan-2-ol is CC(O)C(C)N1CC(F)C1.
What is the InChIKey of 3-(3-fluoroazetidin-1-yl)butan-2-ol?
The InChIKey is AKULZKMNNLQIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-5(6(2)10)9-3-7(8)4-9/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 3-(3-fluoroazetidin-1-yl)butan-2-ol?
3-(3-fluoroazetidin-1-yl)butan-2-ol has a molecular weight of 147.19 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroazetidin-1-yl)butan-2-ol is sourced from PubChem (CID 131085796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).