6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine

C8H10F3NO — CID 166661463

IUPAC6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine
SMILESNC1C=CC=CC1OCC(F)(F)F
InChIInChI=1S/C8H10F3NO/c9-8(10,11)5-13-7-4-2-1-3-6(7)12/h1-4,6-7H,5,12H2
InChIKeyHFKYFWCWEPKKRR-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.39
Rot. Bonds2

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

6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine (PubChem CID 166661463) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine
PubChem CID166661463
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine
SMILESNC1C=CC=CC1OCC(F)(F)F
InChIInChI=1S/C8H10F3NO/c9-8(10,11)5-13-7-4-2-1-3-6(7)12/h1-4,6-7H,5,12H2
InChIKeyHFKYFWCWEPKKRR-UHFFFAOYSA-N
XLogP1.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine (CID 166661463) is 6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine is NC1C=CC=CC1OCC(F)(F)F.
What is the InChIKey of 6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine?
The InChIKey is HFKYFWCWEPKKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c9-8(10,11)5-13-7-4-2-1-3-6(7)12/h1-4,6-7H,5,12H2.
What are the key properties of 6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine?
6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine has a molecular weight of 193.17 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 166661463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).