5-chloro-N,6-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine

C9H11ClF3N — CID 71220517

IUPAC5-chloro-N,6-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESCNC1C=C(C(F)(F)F)C=C(Cl)C1C
InChIInChI=1S/C9H11ClF3N/c1-5-7(10)3-6(9(11,12)13)4-8(5)14-2/h3-5,8,14H,1-2H3
InChIKeyOXCCIQKKFWYLBZ-UHFFFAOYSA-N
MW225.64 g/mol
LogP2.84
Rot. Bonds1

About 5-chloro-N,6-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine

5-chloro-N,6-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 71220517) has the molecular formula C9H11ClF3N and a molecular weight of 225.64 g/mol. Its IUPAC name is 5-chloro-N,6-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name5-chloro-N,6-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
PubChem CID71220517
Molecular FormulaC9H11ClF3N
Molecular Weight225.64 g/mol
Exact Mass225.05
IUPAC Name5-chloro-N,6-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESCNC1C=C(C(F)(F)F)C=C(Cl)C1C
InChIInChI=1S/C9H11ClF3N/c1-5-7(10)3-6(9(11,12)13)4-8(5)14-2/h3-5,8,14H,1-2H3
InChIKeyOXCCIQKKFWYLBZ-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,6-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 5-chloro-N,6-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (CID 71220517) is 5-chloro-N,6-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 5-chloro-N,6-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 5-chloro-N,6-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is CNC1C=C(C(F)(F)F)C=C(Cl)C1C.
What is the InChIKey of 5-chloro-N,6-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is OXCCIQKKFWYLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N/c1-5-7(10)3-6(9(11,12)13)4-8(5)14-2/h3-5,8,14H,1-2H3.
What are the key properties of 5-chloro-N,6-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
5-chloro-N,6-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 225.64 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,6-dimethyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 71220517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).