(1S,2R)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol

C15H13F4NO — CID 171269901

IUPAC(1S,2R)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol
SMILESN[C@@H](c1c(F)c(F)cc(F)c1F)[C@H](O)Cc1ccccc1
InChIInChI=1S/C15H13F4NO/c16-9-7-10(17)14(19)12(13(9)18)15(20)11(21)6-8-4-2-1-3-5-8/h1-5,7,11,15,21H,6,20H2/t11-,15-/m1/s1
InChIKeyUFIBTZKWMSXJBN-IAQYHMDHSA-N
MW299.27 g/mol
LogP2.85
Rot. Bonds4

About (1S,2R)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol

(1S,2R)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol (PubChem CID 171269901) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is (1S,2R)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol
PubChem CID171269901
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name(1S,2R)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol
SMILESN[C@@H](c1c(F)c(F)cc(F)c1F)[C@H](O)Cc1ccccc1
InChIInChI=1S/C15H13F4NO/c16-9-7-10(17)14(19)12(13(9)18)15(20)11(21)6-8-4-2-1-3-5-8/h1-5,7,11,15,21H,6,20H2/t11-,15-/m1/s1
InChIKeyUFIBTZKWMSXJBN-IAQYHMDHSA-N
XLogP2.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(1R,2S)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol;hydrochloride
CID 171264227
(1S,2R)-1-amino-1-(3,6-dichloro-2-fluorophenyl)-3-phenylpropan-2-ol
CID 171271557
(1S,2R)-1-amino-1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171268166
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol
CID 171262338
(1R,2S)-1-amino-1-[2-fluoro-6-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol
CID 171263389
1,1-difluoro-3-phenylpropan-2-ol
CID 15085378
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171262339
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171261422
(1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171264003
(1S,2R)-1-amino-3-phenyl-1-(2,4,6-trimethoxyphenyl)propan-2-ol;hydrochloride
CID 171267050
4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171263085
(1R,2S)-1-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-2-ol
CID 171263945

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol (CID 171269901) is (1S,2R)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol is N[C@@H](c1c(F)c(F)cc(F)c1F)[C@H](O)Cc1ccccc1.
What is the InChIKey of (1S,2R)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol?
The InChIKey is UFIBTZKWMSXJBN-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H13F4NO/c16-9-7-10(17)14(19)12(13(9)18)15(20)11(21)6-8-4-2-1-3-5-8/h1-5,7,11,15,21H,6,20H2/t11-,15-/m1/s1.
What are the key properties of (1S,2R)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol?
(1S,2R)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol has a molecular weight of 299.27 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol is sourced from PubChem (CID 171269901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).