(4E)-N,2-dimethyl-4-(trifluoromethyl)hepta-4,6-dien-3-imine

C10H14F3N — CID 156851943

IUPAC(4E)-N,2-dimethyl-4-(trifluoromethyl)hepta-4,6-dien-3-imine
SMILESC=C/C=C(C(=N\C)\C(C)C)/C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-5-6-8(10(11,12)13)9(14-4)7(2)3/h5-7H,1H2,2-4H3/b8-6+,14-9+
InChIKeyADIPMOPNHWYFEY-MKQNABESSA-N
MW205.22 g/mol
LogP3.39
Rot. Bonds3

About (4E)-N,2-dimethyl-4-(trifluoromethyl)hepta-4,6-dien-3-imine

(4E)-N,2-dimethyl-4-(trifluoromethyl)hepta-4,6-dien-3-imine (PubChem CID 156851943) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is (4E)-N,2-dimethyl-4-(trifluoromethyl)hepta-4,6-dien-3-imine.

Molecular Properties

Compound Name(4E)-N,2-dimethyl-4-(trifluoromethyl)hepta-4,6-dien-3-imine
PubChem CID156851943
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name(4E)-N,2-dimethyl-4-(trifluoromethyl)hepta-4,6-dien-3-imine
SMILESC=C/C=C(C(=N\C)\C(C)C)/C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-5-6-8(10(11,12)13)9(14-4)7(2)3/h5-7H,1H2,2-4H3/b8-6+,14-9+
InChIKeyADIPMOPNHWYFEY-MKQNABESSA-N
XLogP3.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.39
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)-1,1,1-trifluoro-N,6,6-trimethyl-5-methylidenehept-3-en-2-imine
CID 88877671
3-propan-2-yl-7-(trifluoromethyl)-4H-azepine
CID 90882163
6-(Difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine
CID 90977674
(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
6-fluoro-N,4-dimethylcyclohex-2-en-1-imine
CID 123297893
N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
CID 123513819
(3E)-N-ethyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123705581
(3E)-N-methyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123905830
1-[(4E,6Z)-5-fluorocycloocta-1,4,6-trien-1-yl]-N-methylethanimine
CID 129215964
(3E)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
CID 130256677
1-[(6S)-6-ethenyl-2,4-difluoro-6-methylcyclohexa-1,3-dien-1-yl]-N-methylethanimine
CID 134485298
(3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine
CID 135190182

Frequently Asked Questions

What is the IUPAC name of (4E)-N,2-dimethyl-4-(trifluoromethyl)hepta-4,6-dien-3-imine?
The IUPAC name of (4E)-N,2-dimethyl-4-(trifluoromethyl)hepta-4,6-dien-3-imine (CID 156851943) is (4E)-N,2-dimethyl-4-(trifluoromethyl)hepta-4,6-dien-3-imine.
What is the SMILES notation for (4E)-N,2-dimethyl-4-(trifluoromethyl)hepta-4,6-dien-3-imine?
The canonical SMILES for (4E)-N,2-dimethyl-4-(trifluoromethyl)hepta-4,6-dien-3-imine is C=C/C=C(C(=N\C)\C(C)C)/C(F)(F)F.
What is the InChIKey of (4E)-N,2-dimethyl-4-(trifluoromethyl)hepta-4,6-dien-3-imine?
The InChIKey is ADIPMOPNHWYFEY-MKQNABESSA-N. The full InChI is InChI=1S/C10H14F3N/c1-5-6-8(10(11,12)13)9(14-4)7(2)3/h5-7H,1H2,2-4H3/b8-6+,14-9+.
What are the key properties of (4E)-N,2-dimethyl-4-(trifluoromethyl)hepta-4,6-dien-3-imine?
(4E)-N,2-dimethyl-4-(trifluoromethyl)hepta-4,6-dien-3-imine has a molecular weight of 205.22 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N,2-dimethyl-4-(trifluoromethyl)hepta-4,6-dien-3-imine is sourced from PubChem (CID 156851943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).