(5Z)-5-hydroxyimino-4-phenyl-2-[4-(trifluoromethyl)phenyl]cyclopenta-1,3-diene-1-carbonitrile

C19H11F3N2O — CID 155144336

IUPAC(5Z)-5-hydroxyimino-4-phenyl-2-[4-(trifluoromethyl)phenyl]cyclopenta-1,3-diene-1-carbonitrile
SMILESN#CC1=C(c2ccc(C(F)(F)F)cc2)C=C(c2ccccc2)/C1=N/O
InChIInChI=1S/C19H11F3N2O/c20-19(21,22)14-8-6-13(7-9-14)15-10-16(12-4-2-1-3-5-12)18(24-25)17(15)11-23/h1-10,25H/b24-18-
InChIKeyJDYWABFHQVOIAL-MOHJPFBDSA-N
MW340.30 g/mol
LogP4.91
Rot. Bonds2

About (5Z)-5-hydroxyimino-4-phenyl-2-[4-(trifluoromethyl)phenyl]cyclopenta-1,3-diene-1-carbonitrile

(5Z)-5-hydroxyimino-4-phenyl-2-[4-(trifluoromethyl)phenyl]cyclopenta-1,3-diene-1-carbonitrile (PubChem CID 155144336) has the molecular formula C19H11F3N2O and a molecular weight of 340.30 g/mol. Its IUPAC name is (5Z)-5-hydroxyimino-4-phenyl-2-[4-(trifluoromethyl)phenyl]cyclopenta-1,3-diene-1-carbonitrile.

Molecular Properties

Compound Name(5Z)-5-hydroxyimino-4-phenyl-2-[4-(trifluoromethyl)phenyl]cyclopenta-1,3-diene-1-carbonitrile
PubChem CID155144336
Molecular FormulaC19H11F3N2O
Molecular Weight340.30 g/mol
Exact Mass340.08
IUPAC Name(5Z)-5-hydroxyimino-4-phenyl-2-[4-(trifluoromethyl)phenyl]cyclopenta-1,3-diene-1-carbonitrile
SMILESN#CC1=C(c2ccc(C(F)(F)F)cc2)C=C(c2ccccc2)/C1=N/O
InChIInChI=1S/C19H11F3N2O/c20-19(21,22)14-8-6-13(7-9-14)15-10-16(12-4-2-1-3-5-12)18(24-25)17(15)11-23/h1-10,25H/b24-18-
InChIKeyJDYWABFHQVOIAL-MOHJPFBDSA-N
XLogP4.91
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-hydroxyimino-4-phenyl-2-[4-(trifluoromethyl)phenyl]cyclopenta-1,3-diene-1-carbonitrile?
The IUPAC name of (5Z)-5-hydroxyimino-4-phenyl-2-[4-(trifluoromethyl)phenyl]cyclopenta-1,3-diene-1-carbonitrile (CID 155144336) is (5Z)-5-hydroxyimino-4-phenyl-2-[4-(trifluoromethyl)phenyl]cyclopenta-1,3-diene-1-carbonitrile.
What is the SMILES notation for (5Z)-5-hydroxyimino-4-phenyl-2-[4-(trifluoromethyl)phenyl]cyclopenta-1,3-diene-1-carbonitrile?
The canonical SMILES for (5Z)-5-hydroxyimino-4-phenyl-2-[4-(trifluoromethyl)phenyl]cyclopenta-1,3-diene-1-carbonitrile is N#CC1=C(c2ccc(C(F)(F)F)cc2)C=C(c2ccccc2)/C1=N/O.
What is the InChIKey of (5Z)-5-hydroxyimino-4-phenyl-2-[4-(trifluoromethyl)phenyl]cyclopenta-1,3-diene-1-carbonitrile?
The InChIKey is JDYWABFHQVOIAL-MOHJPFBDSA-N. The full InChI is InChI=1S/C19H11F3N2O/c20-19(21,22)14-8-6-13(7-9-14)15-10-16(12-4-2-1-3-5-12)18(24-25)17(15)11-23/h1-10,25H/b24-18-.
What are the key properties of (5Z)-5-hydroxyimino-4-phenyl-2-[4-(trifluoromethyl)phenyl]cyclopenta-1,3-diene-1-carbonitrile?
(5Z)-5-hydroxyimino-4-phenyl-2-[4-(trifluoromethyl)phenyl]cyclopenta-1,3-diene-1-carbonitrile has a molecular weight of 340.30 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-hydroxyimino-4-phenyl-2-[4-(trifluoromethyl)phenyl]cyclopenta-1,3-diene-1-carbonitrile is sourced from PubChem (CID 155144336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).