N-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclohex-2-en-1-imine

C13H14F3N — CID 123691887

IUPACN-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclohex-2-en-1-imine
SMILESFC(F)(F)C1=CC(/N=C2/C=CCCC2)=CCC1
InChIInChI=1S/C13H14F3N/c14-13(15,16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h2,6,8-9H,1,3-5,7H2/b17-11-
InChIKeyYMOUFWMPUJJTPZ-BOPFTXTBSA-N
MW241.26 g/mol
LogP4.33
Rot. Bonds1

About N-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclohex-2-en-1-imine

N-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclohex-2-en-1-imine (PubChem CID 123691887) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclohex-2-en-1-imine.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclohex-2-en-1-imine
PubChem CID123691887
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC NameN-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclohex-2-en-1-imine
SMILESFC(F)(F)C1=CC(/N=C2/C=CCCC2)=CCC1
InChIInChI=1S/C13H14F3N/c14-13(15,16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h2,6,8-9H,1,3-5,7H2/b17-11-
InChIKeyYMOUFWMPUJJTPZ-BOPFTXTBSA-N
XLogP4.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclohex-2-en-1-imine?
The IUPAC name of N-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclohex-2-en-1-imine (CID 123691887) is N-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclohex-2-en-1-imine.
What is the SMILES notation for N-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclohex-2-en-1-imine?
The canonical SMILES for N-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclohex-2-en-1-imine is FC(F)(F)C1=CC(/N=C2/C=CCCC2)=CCC1.
What is the InChIKey of N-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclohex-2-en-1-imine?
The InChIKey is YMOUFWMPUJJTPZ-BOPFTXTBSA-N. The full InChI is InChI=1S/C13H14F3N/c14-13(15,16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h2,6,8-9H,1,3-5,7H2/b17-11-.
What are the key properties of N-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclohex-2-en-1-imine?
N-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclohex-2-en-1-imine has a molecular weight of 241.26 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclohex-2-en-1-imine is sourced from PubChem (CID 123691887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).