(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-imine

C7H10F3NO — CID 176670552

IUPAC(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-imine
SMILES[H]/N=C(/C=C(\OC)C(F)(F)F)CC
InChIInChI=1S/C7H10F3NO/c1-3-5(11)4-6(12-2)7(8,9)10/h4,11H,3H2,1-2H3/b6-4-,11-5+
InChIKeyTXSNNGOVBKQKMK-NQTKGXIKSA-N
MW181.16 g/mol
LogP2.51
Rot. Bonds3

About (Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-imine

(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-imine (PubChem CID 176670552) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is (Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-imine.

Molecular Properties

Compound Name(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-imine
PubChem CID176670552
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-imine
SMILES[H]/N=C(/C=C(\OC)C(F)(F)F)CC
InChIInChI=1S/C7H10F3NO/c1-3-5(11)4-6(12-2)7(8,9)10/h4,11H,3H2,1-2H3/b6-4-,11-5+
InChIKeyTXSNNGOVBKQKMK-NQTKGXIKSA-N
XLogP2.51
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2E,5E)-3-methoxy-5-(trifluoromethyl)hepta-2,5-dien-4-imine
CID 123292821
[(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-ylidene]azanium
CID 176670551
(Z)-5-methoxyhex-4-en-3-imine
CID 90392307
(E)-5-methoxyhex-4-en-3-imine
CID 123206559
(E)-5-methoxyhept-4-en-3-imine
CID 169683442

Frequently Asked Questions

What is the IUPAC name of (Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-imine?
The IUPAC name of (Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-imine (CID 176670552) is (Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-imine.
What is the SMILES notation for (Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-imine?
The canonical SMILES for (Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-imine is [H]/N=C(/C=C(\OC)C(F)(F)F)CC.
What is the InChIKey of (Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-imine?
The InChIKey is TXSNNGOVBKQKMK-NQTKGXIKSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-3-5(11)4-6(12-2)7(8,9)10/h4,11H,3H2,1-2H3/b6-4-,11-5+.
What are the key properties of (Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-imine?
(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-imine has a molecular weight of 181.16 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-imine is sourced from PubChem (CID 176670552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).