3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol

C₁₅H₁₃ClF₃NO — CID 65186627

About 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol

3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol (PubChem CID 65186627) has the molecular formula C₁₅H₁₃ClF₃NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol.

Molecular Properties

• Compound Name: 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol
• PubChem CID: 65186627
• Molecular Formula: C₁₅H₁₃ClF₃NO
• Molecular Weight: 315.72 g/mol
• Exact Mass: 315.06
• IUPAC Name: 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol
• SMILES: NCC(c1c(F)cccc1Cl)C(O)c1cc(F)cc(F)c1
• InChI: InChI=1S/C15H13ClF3NO/c16-12-2-1-3-13(19)14(12)11(7-20)15(21)8-4-9(17)6-10(18)5-8/h1-6,11,15,21H,7,20H2
• InChIKey: LSJKPWIGTLNNNH-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 46.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.72
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol?

The IUPAC name of 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol (CID 65186627) is 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol.

What is the SMILES notation for 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol?

The canonical SMILES for 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol is NCC(c1c(F)cccc1Cl)C(O)c1cc(F)cc(F)c1.

What is the InChIKey of 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol?

The InChIKey is LSJKPWIGTLNNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-12-2-1-3-13(19)14(12)11(7-20)15(21)8-4-9(17)6-10(18)5-8/h1-6,11,15,21H,7,20H2.

What are the key properties of 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol?

3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol has a molecular weight of 315.72 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol is sourced from PubChem (CID 65186627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 65186627 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.