1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-2-ylpropan-1-ol

C14H9ClF5NO — CID 162511344

IUPAC1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-2-ylpropan-1-ol
SMILESOC(c1ccccn1)(c1ccccc1Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H9ClF5NO/c15-10-6-2-1-5-9(10)12(22,11-7-3-4-8-21-11)13(16,17)14(18,19)20/h1-8,22H
InChIKeyVSKWFEUBZRTEOO-UHFFFAOYSA-N
MW337.68 g/mol
LogP4.17
Rot. Bonds3

About 1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-2-ylpropan-1-ol

1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-2-ylpropan-1-ol (PubChem CID 162511344) has the molecular formula C14H9ClF5NO and a molecular weight of 337.68 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-2-ylpropan-1-ol
PubChem CID162511344
Molecular FormulaC14H9ClF5NO
Molecular Weight337.68 g/mol
Exact Mass337.03
IUPAC Name1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-2-ylpropan-1-ol
SMILESOC(c1ccccn1)(c1ccccc1Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H9ClF5NO/c15-10-6-2-1-5-9(10)12(22,11-7-3-4-8-21-11)13(16,17)14(18,19)20/h1-8,22H
InChIKeyVSKWFEUBZRTEOO-UHFFFAOYSA-N
XLogP4.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.68
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol
CID 7018024
1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-(furan-3-yl)propan-1-ol
CID 162511679
(2-chlorophenyl)-pyridin-2-yl-pyrimidin-5-ylmethanol
CID 56658930
1-chloro-2-[1-(2-chlorophenyl)-1,2,2,3,3,3-hexafluoropropyl]benzene
CID 22336549
dichloro(pyridin-2-yl)methanol;zirconium
CID 174374690
(4-chlorophenyl)-dipyridin-2-ylmethanol
CID 142751464
2-(2-chloro-1,1,1-trifluoropropan-2-yl)pyridine
CID 146396997
fluoro(pyridin-2-yl)methanediamine
CID 67406744
1-chloro-2-(trifluoromethyl)benzene
CID 161495124
1-chloro-2-[(2-chlorophenyl)-difluoromethyl]benzene
CID 22023801
1-chloro-2-(trifluoromethyl)benzene
CID 6921
2-pyridin-2-ylbut-3-yn-2-ol
CID 16762502

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-2-ylpropan-1-ol?
The IUPAC name of 1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-2-ylpropan-1-ol (CID 162511344) is 1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-2-ylpropan-1-ol is OC(c1ccccn1)(c1ccccc1Cl)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-2-ylpropan-1-ol?
The InChIKey is VSKWFEUBZRTEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF5NO/c15-10-6-2-1-5-9(10)12(22,11-7-3-4-8-21-11)13(16,17)14(18,19)20/h1-8,22H.
What are the key properties of 1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-2-ylpropan-1-ol?
1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-2-ylpropan-1-ol has a molecular weight of 337.68 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 162511344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).