(2R,3R)-3-amino-1,1,1-trifluoro-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-ol

C10H8F7NO2 — CID 171263558

IUPAC(2R,3R)-3-amino-1,1,1-trifluoro-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-ol
SMILESN[C@H](c1ccc(OC(F)(F)F)c(F)c1)[C@@H](O)C(F)(F)F
InChIInChI=1S/C10H8F7NO2/c11-5-3-4(7(18)8(19)9(12,13)14)1-2-6(5)20-10(15,16)17/h1-3,7-8,19H,18H2/t7-,8-/m1/s1
InChIKeyMANWRCDWZYYPEK-HTQZYQBOSA-N
MW307.17 g/mol
LogP2.65
Rot. Bonds3

About (2R,3R)-3-amino-1,1,1-trifluoro-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-ol

(2R,3R)-3-amino-1,1,1-trifluoro-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-ol (PubChem CID 171263558) has the molecular formula C10H8F7NO2 and a molecular weight of 307.17 g/mol. Its IUPAC name is (2R,3R)-3-amino-1,1,1-trifluoro-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-amino-1,1,1-trifluoro-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-ol
PubChem CID171263558
Molecular FormulaC10H8F7NO2
Molecular Weight307.17 g/mol
Exact Mass307.04
IUPAC Name(2R,3R)-3-amino-1,1,1-trifluoro-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-ol
SMILESN[C@H](c1ccc(OC(F)(F)F)c(F)c1)[C@@H](O)C(F)(F)F
InChIInChI=1S/C10H8F7NO2/c11-5-3-4(7(18)8(19)9(12,13)14)1-2-6(5)20-10(15,16)17/h1-3,7-8,19H,18H2/t7-,8-/m1/s1
InChIKeyMANWRCDWZYYPEK-HTQZYQBOSA-N
XLogP2.65
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-3-amino-1,1,1-trifluoro-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-ol with MolForge

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Related Compounds

(1R,2S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3,3-dimethylbutan-2-ol;hydrochloride
CID 171263557
(1S)-2,2-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171249160
(1S,2R)-2-amino-1-cyclopropyl-2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanol
CID 171263546
(1R,2S)-2-amino-1-cyclopropyl-2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171269220
(1R,2S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]pentan-2-ol
CID 171263562
(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylbutan-1-amine
CID 171227924
1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine
CID 118989596
(1R,2S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-phenylpropan-2-ol
CID 171263568
(2S,3S)-3-amino-3-(3,4-dimethoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 171162207
(2R,3R)-3-amino-3-(3,4-dimethoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 171160776
(1S)-2,2,3,3,3-pentafluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-amine
CID 171311762
(1S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol;hydrochloride
CID 121361674

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-1,1,1-trifluoro-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-ol?
The IUPAC name of (2R,3R)-3-amino-1,1,1-trifluoro-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-ol (CID 171263558) is (2R,3R)-3-amino-1,1,1-trifluoro-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-ol.
What is the SMILES notation for (2R,3R)-3-amino-1,1,1-trifluoro-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-ol?
The canonical SMILES for (2R,3R)-3-amino-1,1,1-trifluoro-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-ol is N[C@H](c1ccc(OC(F)(F)F)c(F)c1)[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R,3R)-3-amino-1,1,1-trifluoro-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-ol?
The InChIKey is MANWRCDWZYYPEK-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H8F7NO2/c11-5-3-4(7(18)8(19)9(12,13)14)1-2-6(5)20-10(15,16)17/h1-3,7-8,19H,18H2/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-3-amino-1,1,1-trifluoro-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-ol?
(2R,3R)-3-amino-1,1,1-trifluoro-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-ol has a molecular weight of 307.17 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-1,1,1-trifluoro-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-ol is sourced from PubChem (CID 171263558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).