4-(dimethylamino)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carbonitrile

C10H11F3N2 — CID 150726359

IUPAC4-(dimethylamino)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carbonitrile
SMILESCN(C)C1(C(F)(F)F)C=CC(C#N)=CC1
InChIInChI=1S/C10H11F3N2/c1-15(2)9(10(11,12)13)5-3-8(7-14)4-6-9/h3-5H,6H2,1-2H3
InChIKeyJQXGXJAFHYNSNF-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.26
Rot. Bonds1

About 4-(dimethylamino)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carbonitrile

4-(dimethylamino)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carbonitrile (PubChem CID 150726359) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 4-(dimethylamino)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carbonitrile
PubChem CID150726359
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name4-(dimethylamino)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carbonitrile
SMILESCN(C)C1(C(F)(F)F)C=CC(C#N)=CC1
InChIInChI=1S/C10H11F3N2/c1-15(2)9(10(11,12)13)5-3-8(7-14)4-6-9/h3-5H,6H2,1-2H3
InChIKeyJQXGXJAFHYNSNF-UHFFFAOYSA-N
XLogP2.26
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carbonitrile?
The IUPAC name of 4-(dimethylamino)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carbonitrile (CID 150726359) is 4-(dimethylamino)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carbonitrile is CN(C)C1(C(F)(F)F)C=CC(C#N)=CC1.
What is the InChIKey of 4-(dimethylamino)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carbonitrile?
The InChIKey is JQXGXJAFHYNSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c1-15(2)9(10(11,12)13)5-3-8(7-14)4-6-9/h3-5H,6H2,1-2H3.
What are the key properties of 4-(dimethylamino)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carbonitrile?
4-(dimethylamino)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carbonitrile has a molecular weight of 216.21 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carbonitrile is sourced from PubChem (CID 150726359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).