(E)-1,1,1-trifluoro-6-methyl-4-propylhept-3-en-2-imine

C11H18F3N — CID 143346611

IUPAC(E)-1,1,1-trifluoro-6-methyl-4-propylhept-3-en-2-imine
SMILES[H]/N=C(\C=C(/CCC)CC(C)C)C(F)(F)F
InChIInChI=1S/C11H18F3N/c1-4-5-9(6-8(2)3)7-10(15)11(12,13)14/h7-8,15H,4-6H2,1-3H3/b9-7+,15-10+
InChIKeyQCZQNVKQNZSYTR-VYPLWORKSA-N
MW221.27 g/mol
LogP4.34
Rot. Bonds5

About (E)-1,1,1-trifluoro-6-methyl-4-propylhept-3-en-2-imine

(E)-1,1,1-trifluoro-6-methyl-4-propylhept-3-en-2-imine (PubChem CID 143346611) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-6-methyl-4-propylhept-3-en-2-imine.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-6-methyl-4-propylhept-3-en-2-imine
PubChem CID143346611
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name(E)-1,1,1-trifluoro-6-methyl-4-propylhept-3-en-2-imine
SMILES[H]/N=C(\C=C(/CCC)CC(C)C)C(F)(F)F
InChIInChI=1S/C11H18F3N/c1-4-5-9(6-8(2)3)7-10(15)11(12,13)14/h7-8,15H,4-6H2,1-3H3/b9-7+,15-10+
InChIKeyQCZQNVKQNZSYTR-VYPLWORKSA-N
XLogP4.34
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
8-Ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine
CID 91463138
5-Methyl-4-(trifluoromethyl)cyclohex-3-en-1-imine
CID 123793559
(4Z)-11,11-difluoro-2,12-dimethyltrideca-4,12-dien-3-imine
CID 156235984
(E)-4-cyclopropyl-1,1,1-trifluoropent-3-en-2-imine
CID 156267880
(4E)-4-ethylidene-5,5-difluoro-N,2-dimethylheptan-3-imine
CID 171833118
(E)-1,1,1-trifluoro-4-prop-2-enyloct-3-en-2-imine
CID 143285811
3-[6-Fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]penta-3,4-dien-2-imine
CID 153654563
(3E,5R)-1,1,1-trifluoro-4,5-dimethylocta-3,7-dien-2-imine
CID 162589953
3-Butan-2-ylidene-4-ethyl-5,5-difluoro-8-methyldecan-2-imine
CID 178159868
(E)-2,6-dimethyloct-6-en-3-imine
CID 89688388
(E)-2,6-dimethyl-4-propan-2-ylhept-4-en-3-imine
CID 118346045

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-6-methyl-4-propylhept-3-en-2-imine?
The IUPAC name of (E)-1,1,1-trifluoro-6-methyl-4-propylhept-3-en-2-imine (CID 143346611) is (E)-1,1,1-trifluoro-6-methyl-4-propylhept-3-en-2-imine.
What is the SMILES notation for (E)-1,1,1-trifluoro-6-methyl-4-propylhept-3-en-2-imine?
The canonical SMILES for (E)-1,1,1-trifluoro-6-methyl-4-propylhept-3-en-2-imine is [H]/N=C(\C=C(/CCC)CC(C)C)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-6-methyl-4-propylhept-3-en-2-imine?
The InChIKey is QCZQNVKQNZSYTR-VYPLWORKSA-N. The full InChI is InChI=1S/C11H18F3N/c1-4-5-9(6-8(2)3)7-10(15)11(12,13)14/h7-8,15H,4-6H2,1-3H3/b9-7+,15-10+.
What are the key properties of (E)-1,1,1-trifluoro-6-methyl-4-propylhept-3-en-2-imine?
(E)-1,1,1-trifluoro-6-methyl-4-propylhept-3-en-2-imine has a molecular weight of 221.27 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-6-methyl-4-propylhept-3-en-2-imine is sourced from PubChem (CID 143346611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).