(1-tert-butyl-3-fluoroazetidin-3-yl)methanol

C8H16FNO — CID 90156081

IUPAC(1-tert-butyl-3-fluoroazetidin-3-yl)methanol
SMILESCC(C)(C)N1CC(F)(CO)C1
InChIInChI=1S/C8H16FNO/c1-7(2,3)10-4-8(9,5-10)6-11/h11H,4-6H2,1-3H3
InChIKeyVYWXKSXCLDCLFG-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.80
Rot. Bonds1

About (1-tert-butyl-3-fluoroazetidin-3-yl)methanol

(1-tert-butyl-3-fluoroazetidin-3-yl)methanol (PubChem CID 90156081) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (1-tert-butyl-3-fluoroazetidin-3-yl)methanol.

Molecular Properties

Compound Name(1-tert-butyl-3-fluoroazetidin-3-yl)methanol
PubChem CID90156081
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(1-tert-butyl-3-fluoroazetidin-3-yl)methanol
SMILESCC(C)(C)N1CC(F)(CO)C1
InChIInChI=1S/C8H16FNO/c1-7(2,3)10-4-8(9,5-10)6-11/h11H,4-6H2,1-3H3
InChIKeyVYWXKSXCLDCLFG-UHFFFAOYSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-3-fluoroazetidin-3-yl)methanol?
The IUPAC name of (1-tert-butyl-3-fluoroazetidin-3-yl)methanol (CID 90156081) is (1-tert-butyl-3-fluoroazetidin-3-yl)methanol.
What is the SMILES notation for (1-tert-butyl-3-fluoroazetidin-3-yl)methanol?
The canonical SMILES for (1-tert-butyl-3-fluoroazetidin-3-yl)methanol is CC(C)(C)N1CC(F)(CO)C1.
What is the InChIKey of (1-tert-butyl-3-fluoroazetidin-3-yl)methanol?
The InChIKey is VYWXKSXCLDCLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-7(2,3)10-4-8(9,5-10)6-11/h11H,4-6H2,1-3H3.
What are the key properties of (1-tert-butyl-3-fluoroazetidin-3-yl)methanol?
(1-tert-butyl-3-fluoroazetidin-3-yl)methanol has a molecular weight of 161.22 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-3-fluoroazetidin-3-yl)methanol is sourced from PubChem (CID 90156081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).