(3Z)-5-bromo-7-methyl-4-(trifluoromethyl)octa-3,5-dien-2-imine

C10H13BrF3N — CID 123799140

IUPAC(3Z)-5-bromo-7-methyl-4-(trifluoromethyl)octa-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C(\C(Br)=CC(C)C)C(F)(F)F
InChIInChI=1S/C10H13BrF3N/c1-6(2)4-9(11)8(5-7(3)15)10(12,13)14/h4-6,15H,1-3H3/b8-5+,9-4?,15-7+
InChIKeyNLADICBEKOFLQA-STCWZHMMSA-N
MW284.12 g/mol
LogP4.45
Rot. Bonds3

About (3Z)-5-bromo-7-methyl-4-(trifluoromethyl)octa-3,5-dien-2-imine

(3Z)-5-bromo-7-methyl-4-(trifluoromethyl)octa-3,5-dien-2-imine (PubChem CID 123799140) has the molecular formula C10H13BrF3N and a molecular weight of 284.12 g/mol. Its IUPAC name is (3Z)-5-bromo-7-methyl-4-(trifluoromethyl)octa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z)-5-bromo-7-methyl-4-(trifluoromethyl)octa-3,5-dien-2-imine
PubChem CID123799140
Molecular FormulaC10H13BrF3N
Molecular Weight284.12 g/mol
Exact Mass283.02
IUPAC Name(3Z)-5-bromo-7-methyl-4-(trifluoromethyl)octa-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C(\C(Br)=CC(C)C)C(F)(F)F
InChIInChI=1S/C10H13BrF3N/c1-6(2)4-9(11)8(5-7(3)15)10(12,13)14/h4-6,15H,1-3H3/b8-5+,9-4?,15-7+
InChIKeyNLADICBEKOFLQA-STCWZHMMSA-N
XLogP4.45
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(trifluoromethyl)pent-2-ene-1,4-diimine
CID 165143463
[(Z)-4-iminopent-2-en-2-yl]oxidanium
CID 143658651
(2E,4Z)-3-(difluoromethoxy)-4,6-dimethylhepta-2,4-diene
CID 134430544
(Z)-5,5,5-trifluoro-4-iminopent-2-en-2-amine
CID 138509620
(2E,4Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhepta-2,4-diene
CID 143161376
(E)-4-imino-N,N-dimethylpent-2-en-2-amine
CID 123583193
1,1,1,2,5,5,5-heptafluoro-4-methylpent-2-ene
CID 71429326
(3E)-2,6-dimethyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-diene
CID 145087185
(E)-4-imino-2-methylpent-2-enenitrile
CID 145089299
(3Z,5Z)-4-methylhepta-3,5-dien-2-imine
CID 89477351
(3Z,5E)-5-bromohepta-3,5-dien-2-imine
CID 156548743
N-[(Z)-(4,4,4-trifluoro-3-iminobutan-2-ylidene)amino]methanamine
CID 59444700

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-bromo-7-methyl-4-(trifluoromethyl)octa-3,5-dien-2-imine?
The IUPAC name of (3Z)-5-bromo-7-methyl-4-(trifluoromethyl)octa-3,5-dien-2-imine (CID 123799140) is (3Z)-5-bromo-7-methyl-4-(trifluoromethyl)octa-3,5-dien-2-imine.
What is the SMILES notation for (3Z)-5-bromo-7-methyl-4-(trifluoromethyl)octa-3,5-dien-2-imine?
The canonical SMILES for (3Z)-5-bromo-7-methyl-4-(trifluoromethyl)octa-3,5-dien-2-imine is [H]/N=C(C)/C=C(\C(Br)=CC(C)C)C(F)(F)F.
What is the InChIKey of (3Z)-5-bromo-7-methyl-4-(trifluoromethyl)octa-3,5-dien-2-imine?
The InChIKey is NLADICBEKOFLQA-STCWZHMMSA-N. The full InChI is InChI=1S/C10H13BrF3N/c1-6(2)4-9(11)8(5-7(3)15)10(12,13)14/h4-6,15H,1-3H3/b8-5+,9-4?,15-7+.
What are the key properties of (3Z)-5-bromo-7-methyl-4-(trifluoromethyl)octa-3,5-dien-2-imine?
(3Z)-5-bromo-7-methyl-4-(trifluoromethyl)octa-3,5-dien-2-imine has a molecular weight of 284.12 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-bromo-7-methyl-4-(trifluoromethyl)octa-3,5-dien-2-imine is sourced from PubChem (CID 123799140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).