(2S,3S)-3-amino-1,1,1-trifluoro-3-[4-(trifluoromethyl)phenyl]propan-2-ol

C10H9F6NO — CID 171161829

IUPAC(2S,3S)-3-amino-1,1,1-trifluoro-3-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESN[C@@H](c1ccc(C(F)(F)F)cc1)[C@H](O)C(F)(F)F
InChIInChI=1S/C10H9F6NO/c11-9(12,13)6-3-1-5(2-4-6)7(17)8(18)10(14,15)16/h1-4,7-8,18H,17H2/t7-,8-/m0/s1
InChIKeyUUJUVLGKQNQIFN-YUMQZZPRSA-N
MW273.18 g/mol
LogP2.63
Rot. Bonds2

About (2S,3S)-3-amino-1,1,1-trifluoro-3-[4-(trifluoromethyl)phenyl]propan-2-ol

(2S,3S)-3-amino-1,1,1-trifluoro-3-[4-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 171161829) has the molecular formula C10H9F6NO and a molecular weight of 273.18 g/mol. Its IUPAC name is (2S,3S)-3-amino-1,1,1-trifluoro-3-[4-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-amino-1,1,1-trifluoro-3-[4-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID171161829
Molecular FormulaC10H9F6NO
Molecular Weight273.18 g/mol
Exact Mass273.06
IUPAC Name(2S,3S)-3-amino-1,1,1-trifluoro-3-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESN[C@@H](c1ccc(C(F)(F)F)cc1)[C@H](O)C(F)(F)F
InChIInChI=1S/C10H9F6NO/c11-9(12,13)6-3-1-5(2-4-6)7(17)8(18)10(14,15)16/h1-4,7-8,18H,17H2/t7-,8-/m0/s1
InChIKeyUUJUVLGKQNQIFN-YUMQZZPRSA-N
XLogP2.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 129373286
(2R,3R)-3-amino-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 131607985
(1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171160389
(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 71134587
(2S,3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171268477
2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol
CID 79016422
(2R,3R)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171263130
(2R,3R)-3-amino-3-[2,5-bis(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171263737
(1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 171160385
(1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171261024
(1R,2S)-1-amino-1-(4-tert-butylphenyl)-3,3-dimethylbutan-2-ol
CID 171161092
4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2-chlorophenol
CID 171261786

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-amino-1,1,1-trifluoro-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of (2S,3S)-3-amino-1,1,1-trifluoro-3-[4-(trifluoromethyl)phenyl]propan-2-ol (CID 171161829) is (2S,3S)-3-amino-1,1,1-trifluoro-3-[4-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for (2S,3S)-3-amino-1,1,1-trifluoro-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for (2S,3S)-3-amino-1,1,1-trifluoro-3-[4-(trifluoromethyl)phenyl]propan-2-ol is N[C@@H](c1ccc(C(F)(F)F)cc1)[C@H](O)C(F)(F)F.
What is the InChIKey of (2S,3S)-3-amino-1,1,1-trifluoro-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is UUJUVLGKQNQIFN-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H9F6NO/c11-9(12,13)6-3-1-5(2-4-6)7(17)8(18)10(14,15)16/h1-4,7-8,18H,17H2/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-3-amino-1,1,1-trifluoro-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
(2S,3S)-3-amino-1,1,1-trifluoro-3-[4-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 273.18 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-amino-1,1,1-trifluoro-3-[4-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 171161829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).