(2R)-3,3,4,4,4-pentafluoro-2-[(2S)-morpholin-2-yl]-1-phenylbutan-2-ol;hydrochloride

C14H17ClF5NO2 — CID 57341574

IUPAC(2R)-3,3,4,4,4-pentafluoro-2-[(2S)-morpholin-2-yl]-1-phenylbutan-2-ol;hydrochloride
SMILESCl.O[C@](Cc1ccccc1)([C@@H]1CNCCO1)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H16F5NO2.ClH/c15-13(16,14(17,18)19)12(21,11-9-20-6-7-22-11)8-10-4-2-1-3-5-10;/h1-5,11,20-21H,6-9H2;1H/t11-,12+;/m0./s1
InChIKeyAYBZPBIVFAWCJZ-ZVWHLABXSA-N
MW361.74 g/mol
LogP2.57
Rot. Bonds4

About (2R)-3,3,4,4,4-pentafluoro-2-[(2S)-morpholin-2-yl]-1-phenylbutan-2-ol;hydrochloride

(2R)-3,3,4,4,4-pentafluoro-2-[(2S)-morpholin-2-yl]-1-phenylbutan-2-ol;hydrochloride (PubChem CID 57341574) has the molecular formula C14H17ClF5NO2 and a molecular weight of 361.74 g/mol. Its IUPAC name is (2R)-3,3,4,4,4-pentafluoro-2-[(2S)-morpholin-2-yl]-1-phenylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name(2R)-3,3,4,4,4-pentafluoro-2-[(2S)-morpholin-2-yl]-1-phenylbutan-2-ol;hydrochloride
PubChem CID57341574
Molecular FormulaC14H17ClF5NO2
Molecular Weight361.74 g/mol
Exact Mass361.09
IUPAC Name(2R)-3,3,4,4,4-pentafluoro-2-[(2S)-morpholin-2-yl]-1-phenylbutan-2-ol;hydrochloride
SMILESCl.O[C@](Cc1ccccc1)([C@@H]1CNCCO1)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H16F5NO2.ClH/c15-13(16,14(17,18)19)12(21,11-9-20-6-7-22-11)8-10-4-2-1-3-5-10;/h1-5,11,20-21H,6-9H2;1H/t11-,12+;/m0./s1
InChIKeyAYBZPBIVFAWCJZ-ZVWHLABXSA-N
XLogP2.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.74
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-3,3,4,4,4-pentafluoro-2-[(2S)-morpholin-2-yl]-1-phenylbutan-2-ol;hydrochloride 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 (2R)-3,3,4,4,4-pentafluoro-2-[(2S)-morpholin-2-yl]-1-phenylbutan-2-ol;hydrochloride?
The IUPAC name of (2R)-3,3,4,4,4-pentafluoro-2-[(2S)-morpholin-2-yl]-1-phenylbutan-2-ol;hydrochloride (CID 57341574) is (2R)-3,3,4,4,4-pentafluoro-2-[(2S)-morpholin-2-yl]-1-phenylbutan-2-ol;hydrochloride.
What is the SMILES notation for (2R)-3,3,4,4,4-pentafluoro-2-[(2S)-morpholin-2-yl]-1-phenylbutan-2-ol;hydrochloride?
The canonical SMILES for (2R)-3,3,4,4,4-pentafluoro-2-[(2S)-morpholin-2-yl]-1-phenylbutan-2-ol;hydrochloride is Cl.O[C@](Cc1ccccc1)([C@@H]1CNCCO1)C(F)(F)C(F)(F)F.
What is the InChIKey of (2R)-3,3,4,4,4-pentafluoro-2-[(2S)-morpholin-2-yl]-1-phenylbutan-2-ol;hydrochloride?
The InChIKey is AYBZPBIVFAWCJZ-ZVWHLABXSA-N. The full InChI is InChI=1S/C14H16F5NO2.ClH/c15-13(16,14(17,18)19)12(21,11-9-20-6-7-22-11)8-10-4-2-1-3-5-10;/h1-5,11,20-21H,6-9H2;1H/t11-,12+;/m0./s1.
What are the key properties of (2R)-3,3,4,4,4-pentafluoro-2-[(2S)-morpholin-2-yl]-1-phenylbutan-2-ol;hydrochloride?
(2R)-3,3,4,4,4-pentafluoro-2-[(2S)-morpholin-2-yl]-1-phenylbutan-2-ol;hydrochloride has a molecular weight of 361.74 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,4,4,4-pentafluoro-2-[(2S)-morpholin-2-yl]-1-phenylbutan-2-ol;hydrochloride is sourced from PubChem (CID 57341574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).