N-[(Z)-2-(ethylideneamino)ethenyl]-6-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

C11H13F3N2 — CID 154531777

IUPACN-[(Z)-2-(ethylideneamino)ethenyl]-6-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESC/C=N/C=C\NC1=CC=CCC1C(F)(F)F
InChIInChI=1S/C11H13F3N2/c1-2-15-7-8-16-10-6-4-3-5-9(10)11(12,13)14/h2-4,6-9,16H,5H2,1H3/b8-7-,15-2+
InChIKeyVZATXFDISTWPMZ-JKHMZJPTSA-N
MW230.23 g/mol
LogP3.16
Rot. Bonds3

About N-[(Z)-2-(ethylideneamino)ethenyl]-6-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

N-[(Z)-2-(ethylideneamino)ethenyl]-6-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 154531777) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is N-[(Z)-2-(ethylideneamino)ethenyl]-6-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-[(Z)-2-(ethylideneamino)ethenyl]-6-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
PubChem CID154531777
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC NameN-[(Z)-2-(ethylideneamino)ethenyl]-6-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESC/C=N/C=C\NC1=CC=CCC1C(F)(F)F
InChIInChI=1S/C11H13F3N2/c1-2-15-7-8-16-10-6-4-3-5-9(10)11(12,13)14/h2-4,6-9,16H,5H2,1H3/b8-7-,15-2+
InChIKeyVZATXFDISTWPMZ-JKHMZJPTSA-N
XLogP3.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(ethylideneamino)ethenyl]-6-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of N-[(Z)-2-(ethylideneamino)ethenyl]-6-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (CID 154531777) is N-[(Z)-2-(ethylideneamino)ethenyl]-6-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-[(Z)-2-(ethylideneamino)ethenyl]-6-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-[(Z)-2-(ethylideneamino)ethenyl]-6-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is C/C=N/C=C\NC1=CC=CCC1C(F)(F)F.
What is the InChIKey of N-[(Z)-2-(ethylideneamino)ethenyl]-6-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is VZATXFDISTWPMZ-JKHMZJPTSA-N. The full InChI is InChI=1S/C11H13F3N2/c1-2-15-7-8-16-10-6-4-3-5-9(10)11(12,13)14/h2-4,6-9,16H,5H2,1H3/b8-7-,15-2+.
What are the key properties of N-[(Z)-2-(ethylideneamino)ethenyl]-6-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
N-[(Z)-2-(ethylideneamino)ethenyl]-6-(trifluoromethyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 230.23 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(ethylideneamino)ethenyl]-6-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 154531777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).