3-amino-1,1,1-trifluoro-2-[3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol

C17H17F5N2O2 — CID 166519728

IUPAC3-amino-1,1,1-trifluoro-2-[3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2ccc(F)cc2)nc(C(O)(CN)C(F)(F)F)c1F
InChIInChI=1S/C17H17F5N2O2/c1-15(2,25)11-7-12(9-3-5-10(18)6-4-9)24-14(13(11)19)16(26,8-23)17(20,21)22/h3-7,25-26H,8,23H2,1-2H3
InChIKeyMEOZOWKYVPQTNT-UHFFFAOYSA-N
MW376.33 g/mol
LogP2.96
Rot. Bonds4

About 3-amino-1,1,1-trifluoro-2-[3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol

3-amino-1,1,1-trifluoro-2-[3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol (PubChem CID 166519728) has the molecular formula C17H17F5N2O2 and a molecular weight of 376.33 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-[3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-[3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol
PubChem CID166519728
Molecular FormulaC17H17F5N2O2
Molecular Weight376.33 g/mol
Exact Mass376.12
IUPAC Name3-amino-1,1,1-trifluoro-2-[3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2ccc(F)cc2)nc(C(O)(CN)C(F)(F)F)c1F
InChIInChI=1S/C17H17F5N2O2/c1-15(2,25)11-7-12(9-3-5-10(18)6-4-9)24-14(13(11)19)16(26,8-23)17(20,21)22/h3-7,25-26H,8,23H2,1-2H3
InChIKeyMEOZOWKYVPQTNT-UHFFFAOYSA-N
XLogP2.96
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-[3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-[3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol (CID 166519728) is 3-amino-1,1,1-trifluoro-2-[3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-[3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-[3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol is CC(C)(O)c1cc(-c2ccc(F)cc2)nc(C(O)(CN)C(F)(F)F)c1F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-[3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol?
The InChIKey is MEOZOWKYVPQTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F5N2O2/c1-15(2,25)11-7-12(9-3-5-10(18)6-4-9)24-14(13(11)19)16(26,8-23)17(20,21)22/h3-7,25-26H,8,23H2,1-2H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-[3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol?
3-amino-1,1,1-trifluoro-2-[3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol has a molecular weight of 376.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-[3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 166519728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).