1,1,1,3,3,3-hexafluoro-2-(2-fluoro-3-pyridinyl)propan-2-ol

C8H4F7NO — CID 133060408

IUPAC1,1,1,3,3,3-hexafluoro-2-(2-fluoro-3-pyridinyl)propan-2-ol
SMILESOC(c1cccnc1F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F7NO/c9-5-4(2-1-3-16-5)6(17,7(10,11)12)8(13,14)15/h1-3,17H
InChIKeyTVZJOEYIQUFGRM-UHFFFAOYSA-N
MW263.11 g/mol
LogP2.53
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-3-pyridinyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(2-fluoro-3-pyridinyl)propan-2-ol (PubChem CID 133060408) has the molecular formula C8H4F7NO and a molecular weight of 263.11 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(2-fluoro-3-pyridinyl)propan-2-ol
PubChem CID133060408
Molecular FormulaC8H4F7NO
Molecular Weight263.11 g/mol
Exact Mass263.02
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(2-fluoro-3-pyridinyl)propan-2-ol
SMILESOC(c1cccnc1F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F7NO/c9-5-4(2-1-3-16-5)6(17,7(10,11)12)8(13,14)15/h1-3,17H
InChIKeyTVZJOEYIQUFGRM-UHFFFAOYSA-N
XLogP2.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(1,1-difluoroethyl)-2-fluoropyridine
CID 145371405
2-(5-bromoquinolin-8-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 121303156
2-(8-aminoquinolin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11243823
1,1,1-trifluoro-2-(2-fluoro-3-pyridinyl)-3-nitrobutan-2-ol
CID 135331109
2-amino-2-(2-fluoro-3-pyridinyl)propan-1-ol
CID 55282307
1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 18352095
4,5-difluorobenzene-1,2-diamine;2-fluoro-3-(trifluoromethyl)pyridine
CID 159042611
2-fluoro-3-(2-methylbutan-2-yl)pyridine
CID 146620582
1,1,1-trifluoro-2-(2-methyl-3-pyridinyl)propan-2-ol
CID 127017192
7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-nitroquinolin-8-ol
CID 171983224
1,1,1,3,3,3-hexafluoro-2-(2-methylsulfanylphenyl)propan-2-ol
CID 71761886
1,1,1,3,3,3-hexafluoro-2-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]sulfanylphenyl]propan-2-ol
CID 134882623

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-3-pyridinyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-3-pyridinyl)propan-2-ol (CID 133060408) is 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-3-pyridinyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-3-pyridinyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-3-pyridinyl)propan-2-ol is OC(c1cccnc1F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-3-pyridinyl)propan-2-ol?
The InChIKey is TVZJOEYIQUFGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F7NO/c9-5-4(2-1-3-16-5)6(17,7(10,11)12)8(13,14)15/h1-3,17H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-3-pyridinyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(2-fluoro-3-pyridinyl)propan-2-ol has a molecular weight of 263.11 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 133060408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).