(1E,3E,5E)-4-fluoro-5-(trifluoromethyl)cycloocta-1,3,5-triene-1-carboxamide

C10H9F4NO — CID 143473264

IUPAC(1E,3E,5E)-4-fluoro-5-(trifluoromethyl)cycloocta-1,3,5-triene-1-carboxamide
SMILESNC(=O)/C1=C/C=C(F)\C(C(F)(F)F)=C/CC1
InChIInChI=1S/C10H9F4NO/c11-8-5-4-6(9(15)16)2-1-3-7(8)10(12,13)14/h3-5H,1-2H2,(H2,15,16)/b6-4+,7-3+,8-5+
InChIKeyWSKYDYHFYADBTC-NLZHIDBLSA-N
MW235.18 g/mol
LogP2.53
Rot. Bonds1

About (1E,3E,5E)-4-fluoro-5-(trifluoromethyl)cycloocta-1,3,5-triene-1-carboxamide

(1E,3E,5E)-4-fluoro-5-(trifluoromethyl)cycloocta-1,3,5-triene-1-carboxamide (PubChem CID 143473264) has the molecular formula C10H9F4NO and a molecular weight of 235.18 g/mol. Its IUPAC name is (1E,3E,5E)-4-fluoro-5-(trifluoromethyl)cycloocta-1,3,5-triene-1-carboxamide.

Molecular Properties

Compound Name(1E,3E,5E)-4-fluoro-5-(trifluoromethyl)cycloocta-1,3,5-triene-1-carboxamide
PubChem CID143473264
Molecular FormulaC10H9F4NO
Molecular Weight235.18 g/mol
Exact Mass235.06
IUPAC Name(1E,3E,5E)-4-fluoro-5-(trifluoromethyl)cycloocta-1,3,5-triene-1-carboxamide
SMILESNC(=O)/C1=C/C=C(F)\C(C(F)(F)F)=C/CC1
InChIInChI=1S/C10H9F4NO/c11-8-5-4-6(9(15)16)2-1-3-7(8)10(12,13)14/h3-5H,1-2H2,(H2,15,16)/b6-4+,7-3+,8-5+
InChIKeyWSKYDYHFYADBTC-NLZHIDBLSA-N
XLogP2.53
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1E,3E,5E)-4-fluoro-5-(trifluoromethyl)cycloocta-1,3,5-triene-1-carboxamide?
The IUPAC name of (1E,3E,5E)-4-fluoro-5-(trifluoromethyl)cycloocta-1,3,5-triene-1-carboxamide (CID 143473264) is (1E,3E,5E)-4-fluoro-5-(trifluoromethyl)cycloocta-1,3,5-triene-1-carboxamide.
What is the SMILES notation for (1E,3E,5E)-4-fluoro-5-(trifluoromethyl)cycloocta-1,3,5-triene-1-carboxamide?
The canonical SMILES for (1E,3E,5E)-4-fluoro-5-(trifluoromethyl)cycloocta-1,3,5-triene-1-carboxamide is NC(=O)/C1=C/C=C(F)\C(C(F)(F)F)=C/CC1.
What is the InChIKey of (1E,3E,5E)-4-fluoro-5-(trifluoromethyl)cycloocta-1,3,5-triene-1-carboxamide?
The InChIKey is WSKYDYHFYADBTC-NLZHIDBLSA-N. The full InChI is InChI=1S/C10H9F4NO/c11-8-5-4-6(9(15)16)2-1-3-7(8)10(12,13)14/h3-5H,1-2H2,(H2,15,16)/b6-4+,7-3+,8-5+.
What are the key properties of (1E,3E,5E)-4-fluoro-5-(trifluoromethyl)cycloocta-1,3,5-triene-1-carboxamide?
(1E,3E,5E)-4-fluoro-5-(trifluoromethyl)cycloocta-1,3,5-triene-1-carboxamide has a molecular weight of 235.18 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5E)-4-fluoro-5-(trifluoromethyl)cycloocta-1,3,5-triene-1-carboxamide is sourced from PubChem (CID 143473264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).