3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-2-pyridin-3-ylnonan-2-ol

C14H8F15NO — CID 151693835

IUPAC3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-2-pyridin-3-ylnonan-2-ol
SMILESCC(O)(c1cccnc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H8F15NO/c1-7(31,6-3-2-4-30-5-6)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h2-5,31H,1H3
InChIKeyRDDDYOWTAQPINL-UHFFFAOYSA-N
MW491.19 g/mol
LogP5.66
Rot. Bonds7

About 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-2-pyridin-3-ylnonan-2-ol

3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-2-pyridin-3-ylnonan-2-ol (PubChem CID 151693835) has the molecular formula C14H8F15NO and a molecular weight of 491.19 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-2-pyridin-3-ylnonan-2-ol.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-2-pyridin-3-ylnonan-2-ol
PubChem CID151693835
Molecular FormulaC14H8F15NO
Molecular Weight491.19 g/mol
Exact Mass491.04
IUPAC Name3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-2-pyridin-3-ylnonan-2-ol
SMILESCC(O)(c1cccnc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H8F15NO/c1-7(31,6-3-2-4-30-5-6)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h2-5,31H,1H3
InChIKeyRDDDYOWTAQPINL-UHFFFAOYSA-N
XLogP5.66
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.19
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-2-pyridin-3-ylnonan-2-ol with MolForge

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Related Compounds

1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 2748409
(2R)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 7053126
2,2,3,3,3-pentafluoro-1-(4-methylphenyl)-1-pyridin-3-ylpropan-1-ol
CID 162511631
1-fluoro-2-pyridin-3-ylpropan-2-ol
CID 89407695
tripyridin-3-ylmethanol
CID 177395677
2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
CID 145044151
3-methyl-2-pyridin-3-ylbutan-2-ol
CID 58641587
2,2,3,3,3-pentafluoro-1-pyridin-3-yl-1-thiophen-2-ylpropan-1-ol
CID 162511519
(3R)-3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 7200717
3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 4912937
lithium;3-(trifluoromethyl)pyridine;hydroxide
CID 175395480
2-methyl-2-pyridin-3-ylpropane-1,3-diol
CID 130130273

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-2-pyridin-3-ylnonan-2-ol?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-2-pyridin-3-ylnonan-2-ol (CID 151693835) is 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-2-pyridin-3-ylnonan-2-ol.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-2-pyridin-3-ylnonan-2-ol?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-2-pyridin-3-ylnonan-2-ol is CC(O)(c1cccnc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-2-pyridin-3-ylnonan-2-ol?
The InChIKey is RDDDYOWTAQPINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F15NO/c1-7(31,6-3-2-4-30-5-6)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h2-5,31H,1H3.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-2-pyridin-3-ylnonan-2-ol?
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-2-pyridin-3-ylnonan-2-ol has a molecular weight of 491.19 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-2-pyridin-3-ylnonan-2-ol is sourced from PubChem (CID 151693835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).