(1E,4Z)-5-fluoro-N-methyl-4-(trifluoromethyl)cycloocta-1,4,7-triene-1-carboxamide

C11H11F4NO — CID 143471885

IUPAC(1E,4Z)-5-fluoro-N-methyl-4-(trifluoromethyl)cycloocta-1,4,7-triene-1-carboxamide
SMILESCNC(=O)/C1=C/C/C(C(F)(F)F)=C(/F)CC=C1
InChIInChI=1S/C11H11F4NO/c1-16-10(17)7-3-2-4-9(12)8(6-5-7)11(13,14)15/h2-3,5H,4,6H2,1H3,(H,16,17)/b3-2?,7-5+,9-8-
InChIKeyYVCFAKJCYNKMQC-WESIQXRWSA-N
MW249.21 g/mol
LogP2.79
Rot. Bonds1

About (1E,4Z)-5-fluoro-N-methyl-4-(trifluoromethyl)cycloocta-1,4,7-triene-1-carboxamide

(1E,4Z)-5-fluoro-N-methyl-4-(trifluoromethyl)cycloocta-1,4,7-triene-1-carboxamide (PubChem CID 143471885) has the molecular formula C11H11F4NO and a molecular weight of 249.21 g/mol. Its IUPAC name is (1E,4Z)-5-fluoro-N-methyl-4-(trifluoromethyl)cycloocta-1,4,7-triene-1-carboxamide.

Molecular Properties

Compound Name(1E,4Z)-5-fluoro-N-methyl-4-(trifluoromethyl)cycloocta-1,4,7-triene-1-carboxamide
PubChem CID143471885
Molecular FormulaC11H11F4NO
Molecular Weight249.21 g/mol
Exact Mass249.08
IUPAC Name(1E,4Z)-5-fluoro-N-methyl-4-(trifluoromethyl)cycloocta-1,4,7-triene-1-carboxamide
SMILESCNC(=O)/C1=C/C/C(C(F)(F)F)=C(/F)CC=C1
InChIInChI=1S/C11H11F4NO/c1-16-10(17)7-3-2-4-9(12)8(6-5-7)11(13,14)15/h2-3,5H,4,6H2,1H3,(H,16,17)/b3-2?,7-5+,9-8-
InChIKeyYVCFAKJCYNKMQC-WESIQXRWSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1E,4Z)-5-fluoro-N-methyl-4-(trifluoromethyl)cycloocta-1,4,7-triene-1-carboxamide?
The IUPAC name of (1E,4Z)-5-fluoro-N-methyl-4-(trifluoromethyl)cycloocta-1,4,7-triene-1-carboxamide (CID 143471885) is (1E,4Z)-5-fluoro-N-methyl-4-(trifluoromethyl)cycloocta-1,4,7-triene-1-carboxamide.
What is the SMILES notation for (1E,4Z)-5-fluoro-N-methyl-4-(trifluoromethyl)cycloocta-1,4,7-triene-1-carboxamide?
The canonical SMILES for (1E,4Z)-5-fluoro-N-methyl-4-(trifluoromethyl)cycloocta-1,4,7-triene-1-carboxamide is CNC(=O)/C1=C/C/C(C(F)(F)F)=C(/F)CC=C1.
What is the InChIKey of (1E,4Z)-5-fluoro-N-methyl-4-(trifluoromethyl)cycloocta-1,4,7-triene-1-carboxamide?
The InChIKey is YVCFAKJCYNKMQC-WESIQXRWSA-N. The full InChI is InChI=1S/C11H11F4NO/c1-16-10(17)7-3-2-4-9(12)8(6-5-7)11(13,14)15/h2-3,5H,4,6H2,1H3,(H,16,17)/b3-2?,7-5+,9-8-.
What are the key properties of (1E,4Z)-5-fluoro-N-methyl-4-(trifluoromethyl)cycloocta-1,4,7-triene-1-carboxamide?
(1E,4Z)-5-fluoro-N-methyl-4-(trifluoromethyl)cycloocta-1,4,7-triene-1-carboxamide has a molecular weight of 249.21 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4Z)-5-fluoro-N-methyl-4-(trifluoromethyl)cycloocta-1,4,7-triene-1-carboxamide is sourced from PubChem (CID 143471885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).