6,6-dichloro-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine

C7H6Cl2F3N — CID 22617144

IUPAC6,6-dichloro-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESNC1C=CC(C(F)(F)F)=CC1(Cl)Cl
InChIInChI=1S/C7H6Cl2F3N/c8-6(9)3-4(7(10,11)12)1-2-5(6)13/h1-3,5H,13H2
InChIKeyCZGZEKZLAJJICA-UHFFFAOYSA-N
MW232.03 g/mol
LogP2.55
Rot. Bonds

About 6,6-dichloro-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine

6,6-dichloro-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 22617144) has the molecular formula C7H6Cl2F3N and a molecular weight of 232.03 g/mol. Its IUPAC name is 6,6-dichloro-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6,6-dichloro-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
PubChem CID22617144
Molecular FormulaC7H6Cl2F3N
Molecular Weight232.03 g/mol
Exact Mass230.98
IUPAC Name6,6-dichloro-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESNC1C=CC(C(F)(F)F)=CC1(Cl)Cl
InChIInChI=1S/C7H6Cl2F3N/c8-6(9)3-4(7(10,11)12)1-2-5(6)13/h1-3,5H,13H2
InChIKeyCZGZEKZLAJJICA-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.03
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6-dichloro-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 6,6-dichloro-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (CID 22617144) is 6,6-dichloro-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6,6-dichloro-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6,6-dichloro-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is NC1C=CC(C(F)(F)F)=CC1(Cl)Cl.
What is the InChIKey of 6,6-dichloro-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is CZGZEKZLAJJICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2F3N/c8-6(9)3-4(7(10,11)12)1-2-5(6)13/h1-3,5H,13H2.
What are the key properties of 6,6-dichloro-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
6,6-dichloro-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 232.03 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dichloro-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 22617144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).