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

C10H13F3N2 — CID 174648172

IUPACN-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]propan-2-amine
SMILESCC(C)NN=C1C(F)=CC(C)(F)C=C1F
InChIInChI=1S/C10H13F3N2/c1-6(2)14-15-9-7(11)4-10(3,13)5-8(9)12/h4-6,14H,1-3H3/b15-9-
InChIKeyVTZSXOGXZWYKMH-DHDCSXOGSA-N
MW218.22 g/mol
LogP2.79
Rot. Bonds2

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

N-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]propan-2-amine (PubChem CID 174648172) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is N-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]propan-2-amine.

Molecular Properties

Compound NameN-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]propan-2-amine
PubChem CID174648172
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC NameN-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]propan-2-amine
SMILESCC(C)NN=C1C(F)=CC(C)(F)C=C1F
InChIInChI=1S/C10H13F3N2/c1-6(2)14-15-9-7(11)4-10(3,13)5-8(9)12/h4-6,14H,1-3H3/b15-9-
InChIKeyVTZSXOGXZWYKMH-DHDCSXOGSA-N
XLogP2.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.79
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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Frequently Asked Questions

What is the IUPAC name of N-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]propan-2-amine?
The IUPAC name of N-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]propan-2-amine (CID 174648172) is N-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]propan-2-amine.
What is the SMILES notation for N-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]propan-2-amine?
The canonical SMILES for N-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]propan-2-amine is CC(C)NN=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]propan-2-amine?
The InChIKey is VTZSXOGXZWYKMH-DHDCSXOGSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-6(2)14-15-9-7(11)4-10(3,13)5-8(9)12/h4-6,14H,1-3H3/b15-9-.
What are the key properties of N-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]propan-2-amine?
N-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]propan-2-amine has a molecular weight of 218.22 g/mol, XLogP of 2.79, 2 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]propan-2-amine is sourced from PubChem (CID 174648172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).