(2S,3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride

C10H11ClF5NO2 — CID 171268477

IUPAC(2S,3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
SMILESCl.N[C@@H](c1ccc(OC(F)F)cc1)[C@H](O)C(F)(F)F
InChIInChI=1S/C10H10F5NO2.ClH/c11-9(12)18-6-3-1-5(2-4-6)7(16)8(17)10(13,14)15;/h1-4,7-9,17H,16H2;1H/t7-,8-;/m0./s1
InChIKeyQMEGKNDONNPEJC-WSZWBAFRSA-N
MW307.65 g/mol
LogP2.63
Rot. Bonds4

About (2S,3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride

(2S,3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride (PubChem CID 171268477) has the molecular formula C10H11ClF5NO2 and a molecular weight of 307.65 g/mol. Its IUPAC name is (2S,3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
PubChem CID171268477
Molecular FormulaC10H11ClF5NO2
Molecular Weight307.65 g/mol
Exact Mass307.04
IUPAC Name(2S,3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
SMILESCl.N[C@@H](c1ccc(OC(F)F)cc1)[C@H](O)C(F)(F)F
InChIInChI=1S/C10H10F5NO2.ClH/c11-9(12)18-6-3-1-5(2-4-6)7(16)8(17)10(13,14)15;/h1-4,7-9,17H,16H2;1H/t7-,8-;/m0./s1
InChIKeyQMEGKNDONNPEJC-WSZWBAFRSA-N
XLogP2.63
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.65
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride with MolForge

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Related Compounds

(R)-amino-[4-(difluoromethoxy)phenyl]methanol
CID 131969253
(2S,3S)-3-amino-1,1,1-trifluoro-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 171161829
(2R,3R)-3-amino-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 131607985
(1S,2R)-2-amino-1-[4-(difluoromethoxy)phenyl]propan-1-ol
CID 28743825
(1R,2S)-1-amino-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-2-ol;hydrochloride
CID 171264340
(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol
CID 171248414
(1S,2R)-1-amino-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-2-ol;hydrochloride
CID 171270016
(1R,2S)-2-amino-1-cyclohexyl-2-[4-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171268471
1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluorobutan-1-ol
CID 64568016
ethyl (3R)-3-amino-3-[4-(difluoromethoxy)phenyl]-2-fluoropropanoate;hydrochloride
CID 171241697
(2R,3R)-3-amino-1,1,1-trifluoro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171266107
(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-3-[4-(difluoromethoxy)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride?
The IUPAC name of (2S,3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride (CID 171268477) is (2S,3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride.
What is the SMILES notation for (2S,3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride?
The canonical SMILES for (2S,3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride is Cl.N[C@@H](c1ccc(OC(F)F)cc1)[C@H](O)C(F)(F)F.
What is the InChIKey of (2S,3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride?
The InChIKey is QMEGKNDONNPEJC-WSZWBAFRSA-N. The full InChI is InChI=1S/C10H10F5NO2.ClH/c11-9(12)18-6-3-1-5(2-4-6)7(16)8(17)10(13,14)15;/h1-4,7-9,17H,16H2;1H/t7-,8-;/m0./s1.
What are the key properties of (2S,3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride?
(2S,3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride has a molecular weight of 307.65 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride is sourced from PubChem (CID 171268477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).