1,1,1,3,3,3-hexafluoro-2-(2-methyl-4-pyridinyl)propan-2-ol

C9H7F6NO — CID 166610446

IUPAC1,1,1,3,3,3-hexafluoro-2-(2-methyl-4-pyridinyl)propan-2-ol
SMILESCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccn1
InChIInChI=1S/C9H7F6NO/c1-5-4-6(2-3-16-5)7(17,8(10,11)12)9(13,14)15/h2-4,17H,1H3
InChIKeyFRKPGFUILMMRLX-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.70
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(2-methyl-4-pyridinyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(2-methyl-4-pyridinyl)propan-2-ol (PubChem CID 166610446) has the molecular formula C9H7F6NO and a molecular weight of 259.15 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(2-methyl-4-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(2-methyl-4-pyridinyl)propan-2-ol
PubChem CID166610446
Molecular FormulaC9H7F6NO
Molecular Weight259.15 g/mol
Exact Mass259.04
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(2-methyl-4-pyridinyl)propan-2-ol
SMILESCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccn1
InChIInChI=1S/C9H7F6NO/c1-5-4-6(2-3-16-5)7(17,8(10,11)12)9(13,14)15/h2-4,17H,1H3
InChIKeyFRKPGFUILMMRLX-UHFFFAOYSA-N
XLogP2.70
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2-methyl-4-pyridinyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2-methyl-4-pyridinyl)propan-2-ol (CID 166610446) is 1,1,1,3,3,3-hexafluoro-2-(2-methyl-4-pyridinyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(2-methyl-4-pyridinyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(2-methyl-4-pyridinyl)propan-2-ol is Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccn1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(2-methyl-4-pyridinyl)propan-2-ol?
The InChIKey is FRKPGFUILMMRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6NO/c1-5-4-6(2-3-16-5)7(17,8(10,11)12)9(13,14)15/h2-4,17H,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(2-methyl-4-pyridinyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(2-methyl-4-pyridinyl)propan-2-ol has a molecular weight of 259.15 g/mol, XLogP of 2.70, 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-methyl-4-pyridinyl)propan-2-ol is sourced from PubChem (CID 166610446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).