N-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]methanamine

C8H9F3N2 — CID 174648162

IUPACN-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]methanamine
SMILESCNN=C1C(F)=CC(C)(F)C=C1F
InChIInChI=1S/C8H9F3N2/c1-8(11)3-5(9)7(13-12-2)6(10)4-8/h3-4,12H,1-2H3/b13-7-
InChIKeyKTKGADPTPYVVOQ-QPEQYQDCSA-N
MW190.17 g/mol
LogP2.01
Rot. Bonds1

About N-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]methanamine

N-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]methanamine (PubChem CID 174648162) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is N-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]methanamine.

Molecular Properties

Compound NameN-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]methanamine
PubChem CID174648162
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC NameN-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]methanamine
SMILESCNN=C1C(F)=CC(C)(F)C=C1F
InChIInChI=1S/C8H9F3N2/c1-8(11)3-5(9)7(13-12-2)6(10)4-8/h3-4,12H,1-2H3/b13-7-
InChIKeyKTKGADPTPYVVOQ-QPEQYQDCSA-N
XLogP2.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[(E)-3-(trifluoromethyl)pent-3-en-2-ylidene]amino]methanamine
CID 154967746
N-[(E)-[(E)-3,5-difluorohex-3-en-2-ylidene]amino]methanamine
CID 154967768
N-[(E)-[(E)-3-fluoropent-3-en-2-ylidene]amino]methanamine
CID 166922679
N-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]propan-2-amine
CID 174648172

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]methanamine?
The IUPAC name of N-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]methanamine (CID 174648162) is N-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]methanamine.
What is the SMILES notation for N-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]methanamine?
The canonical SMILES for N-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]methanamine is CNN=C1C(F)=CC(C)(F)C=C1F.
What is the InChIKey of N-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]methanamine?
The InChIKey is KTKGADPTPYVVOQ-QPEQYQDCSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-8(11)3-5(9)7(13-12-2)6(10)4-8/h3-4,12H,1-2H3/b13-7-.
What are the key properties of N-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]methanamine?
N-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]methanamine has a molecular weight of 190.17 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]methanamine is sourced from PubChem (CID 174648162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).