N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine

C10H14F3N — CID 126612017

IUPACN-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine
SMILESC=C(/C=C(CC)/N=C/CC)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-6-14-9(5-2)7-8(3)10(11,12)13/h6-7H,3-5H2,1-2H3/b9-7+,14-6+
InChIKeyWCNGEZYWOMFMNM-APMNVIHWSA-N
MW205.22 g/mol
LogP3.88
Rot. Bonds4

About N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine

N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine (PubChem CID 126612017) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine.

Molecular Properties

Compound NameN-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine
PubChem CID126612017
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC NameN-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine
SMILESC=C(/C=C(CC)/N=C/CC)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-6-14-9(5-2)7-8(3)10(11,12)13/h6-7H,3-5H2,1-2H3/b9-7+,14-6+
InChIKeyWCNGEZYWOMFMNM-APMNVIHWSA-N
XLogP3.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.88
H-Bond Donors ≤ 50
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

(Z)-2-ethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-en-1-imine
CID 89210806
(2Z,3Z)-2-(1-fluoroethylidene)-3-(3-fluoropropylidene)pyridine
CID 89255552
(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
CID 90447928
7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine
CID 90705914
6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine
CID 90930168
N-[2-methyl-3-methylidene-5-(trifluoromethyl)hepta-1,4,6-trienyl]ethanimine
CID 91593348
N-[(E)-1,1-difluoro-3-methylpent-2-en-2-yl]prop-2-en-1-imine
CID 117825719
N-butan-2-yl-2-ethylidene-4-methyl-3-(trifluoromethyl)hex-3-en-1-imine
CID 123348293
N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
CID 123408100
N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
CID 123476058
(3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine
CID 123726188
3-(1-Fluoroethylidene)-2-propylidenepyridine
CID 123855748

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine?
The IUPAC name of N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine (CID 126612017) is N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine.
What is the SMILES notation for N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine?
The canonical SMILES for N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine is C=C(/C=C(CC)/N=C/CC)C(F)(F)F.
What is the InChIKey of N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine?
The InChIKey is WCNGEZYWOMFMNM-APMNVIHWSA-N. The full InChI is InChI=1S/C10H14F3N/c1-4-6-14-9(5-2)7-8(3)10(11,12)13/h6-7H,3-5H2,1-2H3/b9-7+,14-6+.
What are the key properties of N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine?
N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine has a molecular weight of 205.22 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine is sourced from PubChem (CID 126612017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).