3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol

C12H15ClFNO2 — CID 103848304

IUPAC3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol
SMILESOC1(CNCc2ccc(F)cc2Cl)CCOC1
InChIInChI=1S/C12H15ClFNO2/c13-11-5-10(14)2-1-9(11)6-15-7-12(16)3-4-17-8-12/h1-2,5,15-16H,3-4,6-8H2
InChIKeyANVFYFASCGPRRW-UHFFFAOYSA-N
MW259.71 g/mol
LogP1.72
Rot. Bonds4

About 3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol

3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol (PubChem CID 103848304) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol
PubChem CID103848304
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol
SMILESOC1(CNCc2ccc(F)cc2Cl)CCOC1
InChIInChI=1S/C12H15ClFNO2/c13-11-5-10(14)2-1-9(11)6-15-7-12(16)3-4-17-8-12/h1-2,5,15-16H,3-4,6-8H2
InChIKeyANVFYFASCGPRRW-UHFFFAOYSA-N
XLogP1.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol 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 3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol (CID 103848304) is 3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol is OC1(CNCc2ccc(F)cc2Cl)CCOC1.
What is the InChIKey of 3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol?
The InChIKey is ANVFYFASCGPRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c13-11-5-10(14)2-1-9(11)6-15-7-12(16)3-4-17-8-12/h1-2,5,15-16H,3-4,6-8H2.
What are the key properties of 3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol?
3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol has a molecular weight of 259.71 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 103848304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).