(9Z)-9-hydroxyimino-N-[4-(trifluoromethyl)phenyl]fluorene-4-carboxamide

C21H13F3N2O2 — CID 6015941

IUPAC(9Z)-9-hydroxyimino-N-[4-(trifluoromethyl)phenyl]fluorene-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2c1-c1ccccc1/C2=N/O
InChIInChI=1S/C21H13F3N2O2/c22-21(23,24)12-8-10-13(11-9-12)25-20(27)17-7-3-6-16-18(17)14-4-1-2-5-15(14)19(16)26-28/h1-11,28H,(H,25,27)/b26-19-
InChIKeyNUCGQOAQFBDTEW-XHPQRKPJSA-N
MW382.34 g/mol
LogP5.16
Rot. Bonds2

About (9Z)-9-hydroxyimino-N-[4-(trifluoromethyl)phenyl]fluorene-4-carboxamide

(9Z)-9-hydroxyimino-N-[4-(trifluoromethyl)phenyl]fluorene-4-carboxamide (PubChem CID 6015941) has the molecular formula C21H13F3N2O2 and a molecular weight of 382.34 g/mol. Its IUPAC name is (9Z)-9-hydroxyimino-N-[4-(trifluoromethyl)phenyl]fluorene-4-carboxamide.

Molecular Properties

Compound Name(9Z)-9-hydroxyimino-N-[4-(trifluoromethyl)phenyl]fluorene-4-carboxamide
PubChem CID6015941
Molecular FormulaC21H13F3N2O2
Molecular Weight382.34 g/mol
Exact Mass382.09
IUPAC Name(9Z)-9-hydroxyimino-N-[4-(trifluoromethyl)phenyl]fluorene-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2c1-c1ccccc1/C2=N/O
InChIInChI=1S/C21H13F3N2O2/c22-21(23,24)12-8-10-13(11-9-12)25-20(27)17-7-3-6-16-18(17)14-4-1-2-5-15(14)19(16)26-28/h1-11,28H,(H,25,27)/b26-19-
InChIKeyNUCGQOAQFBDTEW-XHPQRKPJSA-N
XLogP5.16
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.34
LogP ≤ 55.16
H-Bond Donors ≤ 52
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 (9Z)-9-hydroxyimino-N-[4-(trifluoromethyl)phenyl]fluorene-4-carboxamide?
The IUPAC name of (9Z)-9-hydroxyimino-N-[4-(trifluoromethyl)phenyl]fluorene-4-carboxamide (CID 6015941) is (9Z)-9-hydroxyimino-N-[4-(trifluoromethyl)phenyl]fluorene-4-carboxamide.
What is the SMILES notation for (9Z)-9-hydroxyimino-N-[4-(trifluoromethyl)phenyl]fluorene-4-carboxamide?
The canonical SMILES for (9Z)-9-hydroxyimino-N-[4-(trifluoromethyl)phenyl]fluorene-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2c1-c1ccccc1/C2=N/O.
What is the InChIKey of (9Z)-9-hydroxyimino-N-[4-(trifluoromethyl)phenyl]fluorene-4-carboxamide?
The InChIKey is NUCGQOAQFBDTEW-XHPQRKPJSA-N. The full InChI is InChI=1S/C21H13F3N2O2/c22-21(23,24)12-8-10-13(11-9-12)25-20(27)17-7-3-6-16-18(17)14-4-1-2-5-15(14)19(16)26-28/h1-11,28H,(H,25,27)/b26-19-.
What are the key properties of (9Z)-9-hydroxyimino-N-[4-(trifluoromethyl)phenyl]fluorene-4-carboxamide?
(9Z)-9-hydroxyimino-N-[4-(trifluoromethyl)phenyl]fluorene-4-carboxamide has a molecular weight of 382.34 g/mol, XLogP of 5.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-9-hydroxyimino-N-[4-(trifluoromethyl)phenyl]fluorene-4-carboxamide is sourced from PubChem (CID 6015941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).