6-(trifluoromethyl)cyclohexa-2,4-dien-1-imine

C7H6F3N — CID 150852155

IUPAC6-(trifluoromethyl)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1C(F)(F)F
InChIInChI=1S/C7H6F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-5,11H/b11-6+
InChIKeyKQGHOPSNVFRGMF-IZZDOVSWSA-N
MW161.13 g/mol
LogP2.31
Rot. Bonds

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

6-(trifluoromethyl)cyclohexa-2,4-dien-1-imine (PubChem CID 150852155) has the molecular formula C7H6F3N and a molecular weight of 161.13 g/mol. Its IUPAC name is 6-(trifluoromethyl)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name6-(trifluoromethyl)cyclohexa-2,4-dien-1-imine
PubChem CID150852155
Molecular FormulaC7H6F3N
Molecular Weight161.13 g/mol
Exact Mass161.05
IUPAC Name6-(trifluoromethyl)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1C(F)(F)F
InChIInChI=1S/C7H6F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-5,11H/b11-6+
InChIKeyKQGHOPSNVFRGMF-IZZDOVSWSA-N
XLogP2.31
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.13
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-(Difluoromethylidene)cyclohexa-2,4-dien-1-imine
CID 10419267
1-Methyl-2-imino-3,5-cyclohexadiene
CID 14398589
4-Fluorocyclohexa-2,4-dien-1-imine
CID 70294279
6,6-Difluorocyclohexa-2,4-dien-1-imine
CID 70342878
(6,6-Difluorocyclohexa-2,4-dien-1-ylidene)azanium iodide
CID 88277875
(E)-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]but-3-en-2-imine
CID 89021973
3,4-Difluoro-6-methylidenecyclohexa-2,4-dien-1-imine
CID 89255212
4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)cyclohexa-3,5-diene-1,2-diimine
CID 89555599
3,4-Difluorocyclohexa-3,5-diene-1,2-diimine
CID 117916617
1-[3-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanimine
CID 118422299
1-Cyclohexa-1,2,4-trien-1-yl-2,2,2-trifluoroethanimine
CID 123283269
(4Z,6E)-1,1,1-trifluoronona-4,6,8-trien-3-imine
CID 126629925

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)cyclohexa-2,4-dien-1-imine?
The IUPAC name of 6-(trifluoromethyl)cyclohexa-2,4-dien-1-imine (CID 150852155) is 6-(trifluoromethyl)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 6-(trifluoromethyl)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for 6-(trifluoromethyl)cyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC=CC1C(F)(F)F.
What is the InChIKey of 6-(trifluoromethyl)cyclohexa-2,4-dien-1-imine?
The InChIKey is KQGHOPSNVFRGMF-IZZDOVSWSA-N. The full InChI is InChI=1S/C7H6F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-5,11H/b11-6+.
What are the key properties of 6-(trifluoromethyl)cyclohexa-2,4-dien-1-imine?
6-(trifluoromethyl)cyclohexa-2,4-dien-1-imine has a molecular weight of 161.13 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 150852155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).