(Z)-1,1,1-trifluoro-4-methylhex-3-ene-2,5-diimine

C7H9F3N2 — CID 145206456

IUPAC(Z)-1,1,1-trifluoro-4-methylhex-3-ene-2,5-diimine
SMILES[H]/N=C(/C=C(C)\C(C)=N\[H])C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-4(5(2)11)3-6(12)7(8,9)10/h3,11-12H,1-2H3/b4-3-,11-5+,12-6-
InChIKeyGVDQNGVTHXBFQJ-KTQTXBGVSA-N
MW178.16 g/mol
LogP2.55
Rot. Bonds2

About (Z)-1,1,1-trifluoro-4-methylhex-3-ene-2,5-diimine

(Z)-1,1,1-trifluoro-4-methylhex-3-ene-2,5-diimine (PubChem CID 145206456) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-4-methylhex-3-ene-2,5-diimine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-4-methylhex-3-ene-2,5-diimine
PubChem CID145206456
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name(Z)-1,1,1-trifluoro-4-methylhex-3-ene-2,5-diimine
SMILES[H]/N=C(/C=C(C)\C(C)=N\[H])C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-4(5(2)11)3-6(12)7(8,9)10/h3,11-12H,1-2H3/b4-3-,11-5+,12-6-
InChIKeyGVDQNGVTHXBFQJ-KTQTXBGVSA-N
XLogP2.55
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,5-difluoro-3-methylpent-3-en-2-imine
CID 134932492
(E)-1,1,1,5,5,5-hexafluoro-3-methylpent-3-en-2-imine
CID 134996458
5-(Difluoromethyl)-2,4-dimethylpyrrol-2-amine
CID 89270954
(3E)-3-fluoro-5-methylhexa-3,5-dien-2-imine
CID 91342165
(3Z)-5-fluoro-3-methylhexa-3,5-dien-2-imine
CID 91576140
(3Z,5Z)-1,1,1-trifluoro-3-methylhepta-3,5-dien-2-imine
CID 118102417
1,1,1-Trifluoro-4-methylpent-3-en-2-imine
CID 118281607
(3E,5Z)-3-(trifluoromethyl)hepta-3,5-dien-2-imine
CID 122417254
5-Methyl-3,4-bis(trifluoromethyl)hepta-3,5-dien-2-imine
CID 123298954
(3Z)-5-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123318040
(3E)-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123621624
(E)-6,6,6-trifluoro-5-methylhex-4-en-3-imine
CID 123634361

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-4-methylhex-3-ene-2,5-diimine?
The IUPAC name of (Z)-1,1,1-trifluoro-4-methylhex-3-ene-2,5-diimine (CID 145206456) is (Z)-1,1,1-trifluoro-4-methylhex-3-ene-2,5-diimine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-4-methylhex-3-ene-2,5-diimine?
The canonical SMILES for (Z)-1,1,1-trifluoro-4-methylhex-3-ene-2,5-diimine is [H]/N=C(/C=C(C)\C(C)=N\[H])C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-4-methylhex-3-ene-2,5-diimine?
The InChIKey is GVDQNGVTHXBFQJ-KTQTXBGVSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-4(5(2)11)3-6(12)7(8,9)10/h3,11-12H,1-2H3/b4-3-,11-5+,12-6-.
What are the key properties of (Z)-1,1,1-trifluoro-4-methylhex-3-ene-2,5-diimine?
(Z)-1,1,1-trifluoro-4-methylhex-3-ene-2,5-diimine has a molecular weight of 178.16 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-4-methylhex-3-ene-2,5-diimine is sourced from PubChem (CID 145206456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).