1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol

C17H16F5NO2 — CID 170611762

IUPAC1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(C(C)(O)C(F)(F)F)nc(-c2ccc(F)cc2)c1F
InChIInChI=1S/C17H16F5NO2/c1-15(2,24)11-8-12(16(3,25)17(20,21)22)23-14(13(11)19)9-4-6-10(18)7-5-9/h4-8,24-25H,1-3H3
InChIKeyCSDACEYPOAHIID-UHFFFAOYSA-N
MW361.31 g/mol
LogP4.02
Rot. Bonds3

About 1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol

1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol (PubChem CID 170611762) has the molecular formula C17H16F5NO2 and a molecular weight of 361.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol
PubChem CID170611762
Molecular FormulaC17H16F5NO2
Molecular Weight361.31 g/mol
Exact Mass361.11
IUPAC Name1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(C(C)(O)C(F)(F)F)nc(-c2ccc(F)cc2)c1F
InChIInChI=1S/C17H16F5NO2/c1-15(2,24)11-8-12(16(3,25)17(20,21)22)23-14(13(11)19)9-4-6-10(18)7-5-9/h4-8,24-25H,1-3H3
InChIKeyCSDACEYPOAHIID-UHFFFAOYSA-N
XLogP4.02
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol with MolForge

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Related Compounds

(3-Methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-p-tolyl-methanol
CID 9882188
2,6-Bis(diphenylhydroxymethyl)piperidine
CID 94051
4-(4-Fluoro-phenyl)-2,6-diisopropyl-5-(2-methyl-propenyl)-pyridin-3-ol
CID 44275085
2-(Heptan-4-ylamino)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-4-yl]ethanol
CID 432281
(4-methylphenyl)-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol
CID 10355630
1-(6,7,8,9-tetrahydro-3-methyl-5H-cyclohepta[b]pyrid-2-yl)-1-phenylmethanol
CID 10378303
1-(4-Trifluoromethylphenyl)-1-(6,7,8,9-tetrahydro-3-methyl-5H-cyclohepta[b]pyrid-2-yl)methanol
CID 10382295
1-(4-methylphenyl)-1-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol
CID 10402261
3,5-Dihydroxymethyl-2,6-diisopropyl-4-(4-fluorophenyl)pyridine
CID 15924226
2-(Butylamino)-1-[2-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]pyridin-4-yl]ethanol
CID 54020553
2-(Dibutylamino)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-4-yl]ethanol
CID 90669382
2-(Butylamino)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-4-yl]ethanol
CID 90669383

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol (CID 170611762) is 1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol is CC(C)(O)c1cc(C(C)(O)C(F)(F)F)nc(-c2ccc(F)cc2)c1F.
What is the InChIKey of 1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol?
The InChIKey is CSDACEYPOAHIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F5NO2/c1-15(2,24)11-8-12(16(3,25)17(20,21)22)23-14(13(11)19)9-4-6-10(18)7-5-9/h4-8,24-25H,1-3H3.
What are the key properties of 1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol?
1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol has a molecular weight of 361.31 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 170611762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).