(E)-8,8,8-trifluoro-N,3,4-trimethyl-5-methylideneoct-3-en-2-imine

C12H18F3N — CID 166122432

IUPAC(E)-8,8,8-trifluoro-N,3,4-trimethyl-5-methylideneoct-3-en-2-imine
SMILESC=C(CCC(F)(F)F)/C(C)=C(C)/C(C)=N/C
InChIInChI=1S/C12H18F3N/c1-8(6-7-12(13,14)15)9(2)10(3)11(4)16-5/h1,6-7H2,2-5H3/b10-9+,16-11+
InChIKeyCUWBRXAHFYXARG-AKYRVGECSA-N
MW233.28 g/mol
LogP4.31
Rot. Bonds4

About (E)-8,8,8-trifluoro-N,3,4-trimethyl-5-methylideneoct-3-en-2-imine

(E)-8,8,8-trifluoro-N,3,4-trimethyl-5-methylideneoct-3-en-2-imine (PubChem CID 166122432) has the molecular formula C12H18F3N and a molecular weight of 233.28 g/mol. Its IUPAC name is (E)-8,8,8-trifluoro-N,3,4-trimethyl-5-methylideneoct-3-en-2-imine.

Molecular Properties

Compound Name(E)-8,8,8-trifluoro-N,3,4-trimethyl-5-methylideneoct-3-en-2-imine
PubChem CID166122432
Molecular FormulaC12H18F3N
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name(E)-8,8,8-trifluoro-N,3,4-trimethyl-5-methylideneoct-3-en-2-imine
SMILESC=C(CCC(F)(F)F)/C(C)=C(C)/C(C)=N/C
InChIInChI=1S/C12H18F3N/c1-8(6-7-12(13,14)15)9(2)10(3)11(4)16-5/h1,6-7H2,2-5H3/b10-9+,16-11+
InChIKeyCUWBRXAHFYXARG-AKYRVGECSA-N
XLogP4.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 54.31
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,3-bis(prop-1-en-2-yl)hex-3-en-2-imine
CID 89010256
(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
CID 123513819
1-[(4E,6Z)-5-fluorocycloocta-1,4,6-trien-1-yl]-N-methylethanimine
CID 129215964
7,7,7-trifluoro-N-[(3Z,5Z)-5-methylocta-3,5-dienyl]heptan-2-imine
CID 130182822
(3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine
CID 135190182
(4Z)-N-butan-2-yl-1,1,1-trifluoro-6-methylhepta-4,6-dien-2-imine
CID 139506661
(6E)-3,5-difluoro-N-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-imine
CID 142275946
1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoro-N-methylethanimine
CID 143326041
(3E,5E)-7,7,7-trifluoro-3,6-dimethyl-N-prop-2-enylhepta-3,5-dien-2-imine
CID 143684725
ethene;(E)-N-methyl-5-(trifluoromethyl)oct-5-en-4-imine
CID 144144881
1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine
CID 146585989

Frequently Asked Questions

What is the IUPAC name of (E)-8,8,8-trifluoro-N,3,4-trimethyl-5-methylideneoct-3-en-2-imine?
The IUPAC name of (E)-8,8,8-trifluoro-N,3,4-trimethyl-5-methylideneoct-3-en-2-imine (CID 166122432) is (E)-8,8,8-trifluoro-N,3,4-trimethyl-5-methylideneoct-3-en-2-imine.
What is the SMILES notation for (E)-8,8,8-trifluoro-N,3,4-trimethyl-5-methylideneoct-3-en-2-imine?
The canonical SMILES for (E)-8,8,8-trifluoro-N,3,4-trimethyl-5-methylideneoct-3-en-2-imine is C=C(CCC(F)(F)F)/C(C)=C(C)/C(C)=N/C.
What is the InChIKey of (E)-8,8,8-trifluoro-N,3,4-trimethyl-5-methylideneoct-3-en-2-imine?
The InChIKey is CUWBRXAHFYXARG-AKYRVGECSA-N. The full InChI is InChI=1S/C12H18F3N/c1-8(6-7-12(13,14)15)9(2)10(3)11(4)16-5/h1,6-7H2,2-5H3/b10-9+,16-11+.
What are the key properties of (E)-8,8,8-trifluoro-N,3,4-trimethyl-5-methylideneoct-3-en-2-imine?
(E)-8,8,8-trifluoro-N,3,4-trimethyl-5-methylideneoct-3-en-2-imine has a molecular weight of 233.28 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8,8,8-trifluoro-N,3,4-trimethyl-5-methylideneoct-3-en-2-imine is sourced from PubChem (CID 166122432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).