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

C15H14ClF4NO — CID 171264227

IUPAC(1R,2S)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol;hydrochloride
SMILESCl.N[C@H](c1c(F)c(F)cc(F)c1F)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C15H13F4NO.ClH/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;1H/t11-,15-;/m0./s1
InChIKeyDYCTYSLSKVBSBM-JDOFTSHGSA-N
MW335.73 g/mol
LogP3.27
Rot. Bonds4

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

(1R,2S)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol;hydrochloride (PubChem CID 171264227) has the molecular formula C15H14ClF4NO and a molecular weight of 335.73 g/mol. Its IUPAC name is (1R,2S)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol;hydrochloride
PubChem CID171264227
Molecular FormulaC15H14ClF4NO
Molecular Weight335.73 g/mol
Exact Mass335.07
IUPAC Name(1R,2S)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol;hydrochloride
SMILESCl.N[C@H](c1c(F)c(F)cc(F)c1F)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C15H13F4NO.ClH/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;1H/t11-,15-;/m0./s1
InChIKeyDYCTYSLSKVBSBM-JDOFTSHGSA-N
XLogP3.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.73
LogP ≤ 53.27
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

(1S,2R)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol
CID 171269901
(1S,2R)-1-amino-1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171268166
(1S,2R)-1-amino-1-(3,6-dichloro-2-fluorophenyl)-3-phenylpropan-2-ol
CID 171271557
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171262339
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol
CID 171262338
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171261422
(1S,2R)-1-amino-3-phenyl-1-(2,4,6-trimethoxyphenyl)propan-2-ol;hydrochloride
CID 171267050
(1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171264003
4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171263085
(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
(1S,2R)-1-amino-1-(3,5-dimethylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267421

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol;hydrochloride (CID 171264227) is (1R,2S)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol;hydrochloride is Cl.N[C@H](c1c(F)c(F)cc(F)c1F)[C@@H](O)Cc1ccccc1.
What is the InChIKey of (1R,2S)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol;hydrochloride?
The InChIKey is DYCTYSLSKVBSBM-JDOFTSHGSA-N. The full InChI is InChI=1S/C15H13F4NO.ClH/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;1H/t11-,15-;/m0./s1.
What are the key properties of (1R,2S)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol;hydrochloride?
(1R,2S)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol;hydrochloride has a molecular weight of 335.73 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 171264227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).