[1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-3-fluoroazetidin-3-yl]methanol

C9H8ClF4N3O — CID 150203312

IUPAC[1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-3-fluoroazetidin-3-yl]methanol
SMILESOCC1(F)CN(c2nc(Cl)ncc2C(F)(F)F)C1
InChIInChI=1S/C9H8ClF4N3O/c10-7-15-1-5(9(12,13)14)6(16-7)17-2-8(11,3-17)4-18/h1,18H,2-4H2
InChIKeyFPYGVNIQBXNRRE-UHFFFAOYSA-N
MW285.63 g/mol
LogP1.67
Rot. Bonds2

About [1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-3-fluoroazetidin-3-yl]methanol

[1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-3-fluoroazetidin-3-yl]methanol (PubChem CID 150203312) has the molecular formula C9H8ClF4N3O and a molecular weight of 285.63 g/mol. Its IUPAC name is [1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-3-fluoroazetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-3-fluoroazetidin-3-yl]methanol
PubChem CID150203312
Molecular FormulaC9H8ClF4N3O
Molecular Weight285.63 g/mol
Exact Mass285.03
IUPAC Name[1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-3-fluoroazetidin-3-yl]methanol
SMILESOCC1(F)CN(c2nc(Cl)ncc2C(F)(F)F)C1
InChIInChI=1S/C9H8ClF4N3O/c10-7-15-1-5(9(12,13)14)6(16-7)17-2-8(11,3-17)4-18/h1,18H,2-4H2
InChIKeyFPYGVNIQBXNRRE-UHFFFAOYSA-N
XLogP1.67
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.63
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-3-fluoroazetidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-3-fluoroazetidin-3-yl]methanol?
The IUPAC name of [1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-3-fluoroazetidin-3-yl]methanol (CID 150203312) is [1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-3-fluoroazetidin-3-yl]methanol.
What is the SMILES notation for [1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-3-fluoroazetidin-3-yl]methanol?
The canonical SMILES for [1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-3-fluoroazetidin-3-yl]methanol is OCC1(F)CN(c2nc(Cl)ncc2C(F)(F)F)C1.
What is the InChIKey of [1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-3-fluoroazetidin-3-yl]methanol?
The InChIKey is FPYGVNIQBXNRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF4N3O/c10-7-15-1-5(9(12,13)14)6(16-7)17-2-8(11,3-17)4-18/h1,18H,2-4H2.
What are the key properties of [1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-3-fluoroazetidin-3-yl]methanol?
[1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-3-fluoroazetidin-3-yl]methanol has a molecular weight of 285.63 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-3-fluoroazetidin-3-yl]methanol is sourced from PubChem (CID 150203312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).