(1Z)-1-[2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea

C15H10F7N3O2 — CID 134122504

IUPAC(1Z)-1-[2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea
SMILESO=C(/N=c1/ccn(O)c(C(F)(F)C(F)(F)C(F)(F)F)c1)Nc1ccccc1
InChIInChI=1S/C15H10F7N3O2/c16-13(17,14(18,19)15(20,21)22)11-8-10(6-7-25(11)27)24-12(26)23-9-4-2-1-3-5-9/h1-8,27H,(H,23,26)/b24-10-
InChIKeyVUZKDQFMYOUQLF-VROXFSQNSA-N
MW397.25 g/mol
LogP4.15
Rot. Bonds3

About (1Z)-1-[2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea

(1Z)-1-[2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea (PubChem CID 134122504) has the molecular formula C15H10F7N3O2 and a molecular weight of 397.25 g/mol. Its IUPAC name is (1Z)-1-[2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea.

Molecular Properties

Compound Name(1Z)-1-[2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea
PubChem CID134122504
Molecular FormulaC15H10F7N3O2
Molecular Weight397.25 g/mol
Exact Mass397.07
IUPAC Name(1Z)-1-[2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea
SMILESO=C(/N=c1/ccn(O)c(C(F)(F)C(F)(F)C(F)(F)F)c1)Nc1ccccc1
InChIInChI=1S/C15H10F7N3O2/c16-13(17,14(18,19)15(20,21)22)11-8-10(6-7-25(11)27)24-12(26)23-9-4-2-1-3-5-9/h1-8,27H,(H,23,26)/b24-10-
InChIKeyVUZKDQFMYOUQLF-VROXFSQNSA-N
XLogP4.15
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.25
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-1-(1-hydroxy-2-phenyl-4-pyridinylidene)-3-phenylurea
CID 134097848
1-(1-hydroxy-2-methyl-4-pyridinylidene)-3-phenylurea
CID 54070564
(1Z)-1-(1-phenylpyridazin-4-ylidene)-3-[3-(trifluoromethyl)phenyl]urea
CID 21246254
2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide
CID 9556
1-(2-hydroxypyridazin-3-ylidene)-3-phenylurea
CID 54374887
(1E)-1-(1-hydroxyquinolin-5-ylidene)-3-phenylurea
CID 134113276
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-phenylnonanamide
CID 3421010
(1Z)-1-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]-3-phenylurea
CID 87638117
1-(1-hydroxy-2-oxo-4-pyridinyl)-3-phenylurea;hydrochloride
CID 134121177
1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea
CID 54424116
(1E)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-phenylurea
CID 135501318
(1E)-1-(2-oxo-1,3-diphenyl-5-sulfanylimidazolidin-4-ylidene)-3-phenylurea
CID 15500443

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea?
The IUPAC name of (1Z)-1-[2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea (CID 134122504) is (1Z)-1-[2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea.
What is the SMILES notation for (1Z)-1-[2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea?
The canonical SMILES for (1Z)-1-[2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea is O=C(/N=c1/ccn(O)c(C(F)(F)C(F)(F)C(F)(F)F)c1)Nc1ccccc1.
What is the InChIKey of (1Z)-1-[2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea?
The InChIKey is VUZKDQFMYOUQLF-VROXFSQNSA-N. The full InChI is InChI=1S/C15H10F7N3O2/c16-13(17,14(18,19)15(20,21)22)11-8-10(6-7-25(11)27)24-12(26)23-9-4-2-1-3-5-9/h1-8,27H,(H,23,26)/b24-10-.
What are the key properties of (1Z)-1-[2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea?
(1Z)-1-[2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea has a molecular weight of 397.25 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea is sourced from PubChem (CID 134122504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).