4,4,5,5-tetrafluorocyclohex-2-en-1-imine

C6H5F4N — CID 91331313

IUPAC4,4,5,5-tetrafluorocyclohex-2-en-1-imine
SMILES[H]/N=C1\C=CC(F)(F)C(F)(F)C1
InChIInChI=1S/C6H5F4N/c7-5(8)2-1-4(11)3-6(5,9)10/h1-2,11H,3H2/b11-4+
InChIKeySSXQVBCLEIVQIW-NYYWCZLTSA-N
MW167.11 g/mol
LogP2.24
Rot. Bonds

About 4,4,5,5-tetrafluorocyclohex-2-en-1-imine

4,4,5,5-tetrafluorocyclohex-2-en-1-imine (PubChem CID 91331313) has the molecular formula C6H5F4N and a molecular weight of 167.11 g/mol. Its IUPAC name is 4,4,5,5-tetrafluorocyclohex-2-en-1-imine.

Molecular Properties

Compound Name4,4,5,5-tetrafluorocyclohex-2-en-1-imine
PubChem CID91331313
Molecular FormulaC6H5F4N
Molecular Weight167.11 g/mol
Exact Mass167.04
IUPAC Name4,4,5,5-tetrafluorocyclohex-2-en-1-imine
SMILES[H]/N=C1\C=CC(F)(F)C(F)(F)C1
InChIInChI=1S/C6H5F4N/c7-5(8)2-1-4(11)3-6(5,9)10/h1-2,11H,3H2/b11-4+
InChIKeySSXQVBCLEIVQIW-NYYWCZLTSA-N
XLogP2.24
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.11
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetrafluorocyclohex-2-en-1-imine?
The IUPAC name of 4,4,5,5-tetrafluorocyclohex-2-en-1-imine (CID 91331313) is 4,4,5,5-tetrafluorocyclohex-2-en-1-imine.
What is the SMILES notation for 4,4,5,5-tetrafluorocyclohex-2-en-1-imine?
The canonical SMILES for 4,4,5,5-tetrafluorocyclohex-2-en-1-imine is [H]/N=C1\C=CC(F)(F)C(F)(F)C1.
What is the InChIKey of 4,4,5,5-tetrafluorocyclohex-2-en-1-imine?
The InChIKey is SSXQVBCLEIVQIW-NYYWCZLTSA-N. The full InChI is InChI=1S/C6H5F4N/c7-5(8)2-1-4(11)3-6(5,9)10/h1-2,11H,3H2/b11-4+.
What are the key properties of 4,4,5,5-tetrafluorocyclohex-2-en-1-imine?
4,4,5,5-tetrafluorocyclohex-2-en-1-imine has a molecular weight of 167.11 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetrafluorocyclohex-2-en-1-imine is sourced from PubChem (CID 91331313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).