6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol

C11H13F4NO — CID 116535810

IUPAC6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)c1ccncc1F
InChIInChI=1S/C11H13F4NO/c1-10(17,4-2-5-11(13,14)15)8-3-6-16-7-9(8)12/h3,6-7,17H,2,4-5H2,1H3
InChIKeyFXEYDBXYMKSYJA-UHFFFAOYSA-N
MW251.22 g/mol
LogP3.16
Rot. Bonds4

About 6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol

6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol (PubChem CID 116535810) has the molecular formula C11H13F4NO and a molecular weight of 251.22 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol.

Molecular Properties

Compound Name6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol
PubChem CID116535810
Molecular FormulaC11H13F4NO
Molecular Weight251.22 g/mol
Exact Mass251.09
IUPAC Name6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)c1ccncc1F
InChIInChI=1S/C11H13F4NO/c1-10(17,4-2-5-11(13,14)15)8-3-6-16-7-9(8)12/h3,6-7,17H,2,4-5H2,1H3
InChIKeyFXEYDBXYMKSYJA-UHFFFAOYSA-N
XLogP3.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol with MolForge

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Related Compounds

4-amino-2-(3-fluoro-4-pyridinyl)butan-2-ol
CID 104739345
2-(3-fluoro-4-pyridinyl)-4,4-dimethoxybutan-2-ol
CID 104737628
1-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)propan-2-ol
CID 114832951
2-(3-fluoro-4-pyridinyl)-1-(propylamino)propan-2-ol
CID 104739354
2-(4-chlorophenyl)-6,6,6-trifluorohexan-2-ol
CID 115515246
1-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanol
CID 104737502
2-(2-amino-5-methyl-3-pyridinyl)-6,6,6-trifluorohexan-2-ol
CID 116535966
2-[4-(trifluoromethyl)-3-pyridinyl]hex-5-en-2-ol
CID 102707477
1-(2-fluorophenyl)-1-(3-fluoro-4-pyridinyl)propan-1-ol
CID 104737726
2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol
CID 104737591
2-(3-fluoro-4-pyridinyl)-1-methoxy-3-methylbutan-2-ol
CID 104737660
2-(4-methyl-3-pyridinyl)butan-2-ol
CID 66273296

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol?
The IUPAC name of 6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol (CID 116535810) is 6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol.
What is the SMILES notation for 6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol?
The canonical SMILES for 6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol is CC(O)(CCCC(F)(F)F)c1ccncc1F.
What is the InChIKey of 6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol?
The InChIKey is FXEYDBXYMKSYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO/c1-10(17,4-2-5-11(13,14)15)8-3-6-16-7-9(8)12/h3,6-7,17H,2,4-5H2,1H3.
What are the key properties of 6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol?
6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol has a molecular weight of 251.22 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol is sourced from PubChem (CID 116535810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).