6-cyclopropyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide

C11H12F3NO — CID 67173455

IUPAC6-cyclopropyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1C=CC=CC1(C1CC1)C(F)(F)F
InChIInChI=1S/C11H12F3NO/c12-11(13,14)10(7-4-5-7)6-2-1-3-8(10)9(15)16/h1-3,6-8H,4-5H2,(H2,15,16)
InChIKeyYWOYNNYTXWYMOD-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.17
Rot. Bonds2

About 6-cyclopropyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide

6-cyclopropyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide (PubChem CID 67173455) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 6-cyclopropyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
PubChem CID67173455
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name6-cyclopropyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1C=CC=CC1(C1CC1)C(F)(F)F
InChIInChI=1S/C11H12F3NO/c12-11(13,14)10(7-4-5-7)6-2-1-3-8(10)9(15)16/h1-3,6-8H,4-5H2,(H2,15,16)
InChIKeyYWOYNNYTXWYMOD-UHFFFAOYSA-N
XLogP2.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-cyclopropyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide (CID 67173455) is 6-cyclopropyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-cyclopropyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-cyclopropyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide is NC(=O)C1C=CC=CC1(C1CC1)C(F)(F)F.
What is the InChIKey of 6-cyclopropyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is YWOYNNYTXWYMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)10(7-4-5-7)6-2-1-3-8(10)9(15)16/h1-3,6-8H,4-5H2,(H2,15,16).
What are the key properties of 6-cyclopropyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide?
6-cyclopropyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 231.22 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 67173455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).