(Z)-3,3,4,4,4-pentafluoro-1-pyridin-2-ylbut-1-en-2-ol

C9H6F5NO — CID 139136787

IUPAC(Z)-3,3,4,4,4-pentafluoro-1-pyridin-2-ylbut-1-en-2-ol
SMILESO/C(=C\c1ccccn1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6F5NO/c10-8(11,9(12,13)14)7(16)5-6-3-1-2-4-15-6/h1-5,16H/b7-5-
InChIKeyFFXQPVLNQAHOPH-ALCCZGGFSA-N
MW239.14 g/mol
LogP3.18
Rot. Bonds2

About (Z)-3,3,4,4,4-pentafluoro-1-pyridin-2-ylbut-1-en-2-ol

(Z)-3,3,4,4,4-pentafluoro-1-pyridin-2-ylbut-1-en-2-ol (PubChem CID 139136787) has the molecular formula C9H6F5NO and a molecular weight of 239.14 g/mol. Its IUPAC name is (Z)-3,3,4,4,4-pentafluoro-1-pyridin-2-ylbut-1-en-2-ol.

Molecular Properties

Compound Name(Z)-3,3,4,4,4-pentafluoro-1-pyridin-2-ylbut-1-en-2-ol
PubChem CID139136787
Molecular FormulaC9H6F5NO
Molecular Weight239.14 g/mol
Exact Mass239.04
IUPAC Name(Z)-3,3,4,4,4-pentafluoro-1-pyridin-2-ylbut-1-en-2-ol
SMILESO/C(=C\c1ccccn1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6F5NO/c10-8(11,9(12,13)14)7(16)5-6-3-1-2-4-15-6/h1-5,16H/b7-5-
InChIKeyFFXQPVLNQAHOPH-ALCCZGGFSA-N
XLogP3.18
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(Z)-3,3,3-trichloro-1-pyridin-2-ylprop-1-en-2-ol
CID 164511358
bis((Z)-3,3,4,4,5,5,5-heptafluoro-1-pyridin-2-ylpent-1-en-2-olate);palladium(2+)
CID 139136790
cobalt(3+);tris((Z)-3,3,3-trifluoro-1-pyridin-2-ylprop-1-en-2-olate)
CID 139142312
(E)-2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethenol
CID 177421488
(Z)-2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethenol
CID 136815132
(Z)-1-phenyl-2-pyridin-2-ylethenamine
CID 13266377
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
1-pyridin-2-ylprop-1-en-2-ylphosphonic acid
CID 177312933
tetrakis(benzene-1,2-diol);bis(2-[(E)-2-pyridin-2-ylethenyl]pyridine)
CID 139185658
(1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol
CID 7018024
(Z)-2-chloro-3-pyridin-2-ylprop-2-enal
CID 12946087
1,2-dipyridin-2-ylethenylphosphane
CID 174741500

Frequently Asked Questions

What is the IUPAC name of (Z)-3,3,4,4,4-pentafluoro-1-pyridin-2-ylbut-1-en-2-ol?
The IUPAC name of (Z)-3,3,4,4,4-pentafluoro-1-pyridin-2-ylbut-1-en-2-ol (CID 139136787) is (Z)-3,3,4,4,4-pentafluoro-1-pyridin-2-ylbut-1-en-2-ol.
What is the SMILES notation for (Z)-3,3,4,4,4-pentafluoro-1-pyridin-2-ylbut-1-en-2-ol?
The canonical SMILES for (Z)-3,3,4,4,4-pentafluoro-1-pyridin-2-ylbut-1-en-2-ol is O/C(=C\c1ccccn1)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-3,3,4,4,4-pentafluoro-1-pyridin-2-ylbut-1-en-2-ol?
The InChIKey is FFXQPVLNQAHOPH-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H6F5NO/c10-8(11,9(12,13)14)7(16)5-6-3-1-2-4-15-6/h1-5,16H/b7-5-.
What are the key properties of (Z)-3,3,4,4,4-pentafluoro-1-pyridin-2-ylbut-1-en-2-ol?
(Z)-3,3,4,4,4-pentafluoro-1-pyridin-2-ylbut-1-en-2-ol has a molecular weight of 239.14 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,3,4,4,4-pentafluoro-1-pyridin-2-ylbut-1-en-2-ol is sourced from PubChem (CID 139136787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).