(2S,3S)-3-amino-1,1,1-trifluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]propan-2-ol

C11H11F6NO3 — CID 171269353

IUPAC(2S,3S)-3-amino-1,1,1-trifluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]propan-2-ol
SMILESCOc1ccc(OC(F)(F)F)cc1[C@H](N)[C@H](O)C(F)(F)F
InChIInChI=1S/C11H11F6NO3/c1-20-7-3-2-5(21-11(15,16)17)4-6(7)8(18)9(19)10(12,13)14/h2-4,8-9,19H,18H2,1H3/t8-,9-/m0/s1
InChIKeyXAMYGRYQCHFAPG-IUCAKERBSA-N
MW319.20 g/mol
LogP2.52
Rot. Bonds4

About (2S,3S)-3-amino-1,1,1-trifluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]propan-2-ol

(2S,3S)-3-amino-1,1,1-trifluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]propan-2-ol (PubChem CID 171269353) has the molecular formula C11H11F6NO3 and a molecular weight of 319.20 g/mol. Its IUPAC name is (2S,3S)-3-amino-1,1,1-trifluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-amino-1,1,1-trifluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]propan-2-ol
PubChem CID171269353
Molecular FormulaC11H11F6NO3
Molecular Weight319.20 g/mol
Exact Mass319.06
IUPAC Name(2S,3S)-3-amino-1,1,1-trifluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]propan-2-ol
SMILESCOc1ccc(OC(F)(F)F)cc1[C@H](N)[C@H](O)C(F)(F)F
InChIInChI=1S/C11H11F6NO3/c1-20-7-3-2-5(21-11(15,16)17)4-6(7)8(18)9(19)10(12,13)14/h2-4,8-9,19H,18H2,1H3/t8-,9-/m0/s1
InChIKeyXAMYGRYQCHFAPG-IUCAKERBSA-N
XLogP2.52
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-3-amino-1,1,1-trifluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]propan-2-ol with MolForge

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Related Compounds

2-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-4-(trifluoromethoxy)phenol
CID 171264169
2-[(1S,2S)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-4-(trifluoromethoxy)phenol
CID 171269844
(2R,3R)-3-amino-1,1,1-trifluoro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171266107
(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171208716
(2R)-2-amino-2-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol
CID 66515505
(1S,2R)-1-amino-1-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171162385
(1S,2R)-1-amino-1-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylbutan-2-ol
CID 171271935
(1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]pentane-1,5-diamine
CID 171228299
(S)-cyclobutyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methanamine
CID 171228325
(1R,2S)-1-amino-1-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylpentan-2-ol
CID 171266279
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
(2S,3S)-3-amino-3-(3,4-dimethoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 171162207

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-amino-1,1,1-trifluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]propan-2-ol?
The IUPAC name of (2S,3S)-3-amino-1,1,1-trifluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]propan-2-ol (CID 171269353) is (2S,3S)-3-amino-1,1,1-trifluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]propan-2-ol.
What is the SMILES notation for (2S,3S)-3-amino-1,1,1-trifluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]propan-2-ol?
The canonical SMILES for (2S,3S)-3-amino-1,1,1-trifluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]propan-2-ol is COc1ccc(OC(F)(F)F)cc1[C@H](N)[C@H](O)C(F)(F)F.
What is the InChIKey of (2S,3S)-3-amino-1,1,1-trifluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]propan-2-ol?
The InChIKey is XAMYGRYQCHFAPG-IUCAKERBSA-N. The full InChI is InChI=1S/C11H11F6NO3/c1-20-7-3-2-5(21-11(15,16)17)4-6(7)8(18)9(19)10(12,13)14/h2-4,8-9,19H,18H2,1H3/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-3-amino-1,1,1-trifluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]propan-2-ol?
(2S,3S)-3-amino-1,1,1-trifluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]propan-2-ol has a molecular weight of 319.20 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-amino-1,1,1-trifluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]propan-2-ol is sourced from PubChem (CID 171269353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).