(2R)-1-(benzylamino)-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol

C15H17F8NO2 — CID 98082099

IUPAC(2R)-1-(benzylamino)-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol
SMILESO[C@H](CNCc1ccccc1)COCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C15H17F8NO2/c16-12(17)14(20,21)15(22,23)13(18,19)9-26-8-11(25)7-24-6-10-4-2-1-3-5-10/h1-5,11-12,24-25H,6-9H2/t11-/m1/s1
InChIKeyJCPBHMJKUXYFQE-LLVKDONJSA-N
MW395.29 g/mol
LogP3.32
Rot. Bonds11

About (2R)-1-(benzylamino)-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol

(2R)-1-(benzylamino)-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol (PubChem CID 98082099) has the molecular formula C15H17F8NO2 and a molecular weight of 395.29 g/mol. Its IUPAC name is (2R)-1-(benzylamino)-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(benzylamino)-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol
PubChem CID98082099
Molecular FormulaC15H17F8NO2
Molecular Weight395.29 g/mol
Exact Mass395.11
IUPAC Name(2R)-1-(benzylamino)-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol
SMILESO[C@H](CNCc1ccccc1)COCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C15H17F8NO2/c16-12(17)14(20,21)15(22,23)13(18,19)9-26-8-11(25)7-24-6-10-4-2-1-3-5-10/h1-5,11-12,24-25H,6-9H2/t11-/m1/s1
InChIKeyJCPBHMJKUXYFQE-LLVKDONJSA-N
XLogP3.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzylamino)-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol?
The IUPAC name of (2R)-1-(benzylamino)-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol (CID 98082099) is (2R)-1-(benzylamino)-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(benzylamino)-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(benzylamino)-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol is O[C@H](CNCc1ccccc1)COCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of (2R)-1-(benzylamino)-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol?
The InChIKey is JCPBHMJKUXYFQE-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17F8NO2/c16-12(17)14(20,21)15(22,23)13(18,19)9-26-8-11(25)7-24-6-10-4-2-1-3-5-10/h1-5,11-12,24-25H,6-9H2/t11-/m1/s1.
What are the key properties of (2R)-1-(benzylamino)-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol?
(2R)-1-(benzylamino)-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol has a molecular weight of 395.29 g/mol, XLogP of 3.32, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzylamino)-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol is sourced from PubChem (CID 98082099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).