3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-imine

C8H5F6N — CID 163897844

IUPAC3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1/C=C(C(F)(F)F)C=C(C(F)(F)F)C1
InChIInChI=1S/C8H5F6N/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-2,15H,3H2/b15-6-
InChIKeyQHFRUBHBYMQTMP-UUASQNMZSA-N
MW229.12 g/mol
LogP3.39
Rot. Bonds

About 3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-imine

3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-imine (PubChem CID 163897844) has the molecular formula C8H5F6N and a molecular weight of 229.12 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-imine
PubChem CID163897844
Molecular FormulaC8H5F6N
Molecular Weight229.12 g/mol
Exact Mass229.03
IUPAC Name3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1/C=C(C(F)(F)F)C=C(C(F)(F)F)C1
InChIInChI=1S/C8H5F6N/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-2,15H,3H2/b15-6-
InChIKeyQHFRUBHBYMQTMP-UUASQNMZSA-N
XLogP3.39
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.39
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
(E)-1,1,1,2,2,6,6,7,7,7-decafluoro-4-methylhept-4-en-3-imine
CID 134996532
6,6-Difluorocyclohexa-2,4-dien-1-imine
CID 70342878
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
1-Cyclohexa-1,4-dien-1-yl-2,2,2-trifluoroethanimine
CID 123220668
4-Ethenyl-2,3,5,6-tetrafluorocyclohex-3-en-1-imine
CID 123223996
1-Cyclohexa-1,2,4-trien-1-yl-2,2,2-trifluoroethanimine
CID 123283269
5-Methyl-3,4-bis(trifluoromethyl)hepta-3,5-dien-2-imine
CID 123298954
2-(Trifluoromethyl)cyclohepta-2,4-dien-1-imine
CID 123335440
4-Fluoro-6-methylidenecyclohexa-2,4-dien-1-imine
CID 138664516
4-(Trifluoromethyl)cyclohexa-3,5-diene-1,2-diimine
CID 143271066

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-imine?
The IUPAC name of 3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-imine (CID 163897844) is 3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for 3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-imine is [H]/N=C1/C=C(C(F)(F)F)C=C(C(F)(F)F)C1.
What is the InChIKey of 3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-imine?
The InChIKey is QHFRUBHBYMQTMP-UUASQNMZSA-N. The full InChI is InChI=1S/C8H5F6N/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-2,15H,3H2/b15-6-.
What are the key properties of 3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-imine?
3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-imine has a molecular weight of 229.12 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 163897844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).