(3E,5R)-1,1,1-trifluoro-4,5-dimethylocta-3,7-dien-2-imine

C10H14F3N — CID 162589953

IUPAC(3E,5R)-1,1,1-trifluoro-4,5-dimethylocta-3,7-dien-2-imine
SMILES[H]/N=C(\C=C(/C)[C@H](C)CC=C)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-5-7(2)8(3)6-9(14)10(11,12)13/h4,6-7,14H,1,5H2,2-3H3/b8-6+,14-9+/t7-/m1/s1
InChIKeyXGHQTZMRYUPOIG-KNKVCCJPSA-N
MW205.22 g/mol
LogP3.73
Rot. Bonds4

About (3E,5R)-1,1,1-trifluoro-4,5-dimethylocta-3,7-dien-2-imine

(3E,5R)-1,1,1-trifluoro-4,5-dimethylocta-3,7-dien-2-imine (PubChem CID 162589953) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is (3E,5R)-1,1,1-trifluoro-4,5-dimethylocta-3,7-dien-2-imine.

Molecular Properties

Compound Name(3E,5R)-1,1,1-trifluoro-4,5-dimethylocta-3,7-dien-2-imine
PubChem CID162589953
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name(3E,5R)-1,1,1-trifluoro-4,5-dimethylocta-3,7-dien-2-imine
SMILES[H]/N=C(\C=C(/C)[C@H](C)CC=C)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-5-7(2)8(3)6-9(14)10(11,12)13/h4,6-7,14H,1,5H2,2-3H3/b8-6+,14-9+/t7-/m1/s1
InChIKeyXGHQTZMRYUPOIG-KNKVCCJPSA-N
XLogP3.73
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5R)-1,1,1-trifluoro-4,5-dimethylocta-3,7-dien-2-imine?
The IUPAC name of (3E,5R)-1,1,1-trifluoro-4,5-dimethylocta-3,7-dien-2-imine (CID 162589953) is (3E,5R)-1,1,1-trifluoro-4,5-dimethylocta-3,7-dien-2-imine.
What is the SMILES notation for (3E,5R)-1,1,1-trifluoro-4,5-dimethylocta-3,7-dien-2-imine?
The canonical SMILES for (3E,5R)-1,1,1-trifluoro-4,5-dimethylocta-3,7-dien-2-imine is [H]/N=C(\C=C(/C)[C@H](C)CC=C)C(F)(F)F.
What is the InChIKey of (3E,5R)-1,1,1-trifluoro-4,5-dimethylocta-3,7-dien-2-imine?
The InChIKey is XGHQTZMRYUPOIG-KNKVCCJPSA-N. The full InChI is InChI=1S/C10H14F3N/c1-4-5-7(2)8(3)6-9(14)10(11,12)13/h4,6-7,14H,1,5H2,2-3H3/b8-6+,14-9+/t7-/m1/s1.
What are the key properties of (3E,5R)-1,1,1-trifluoro-4,5-dimethylocta-3,7-dien-2-imine?
(3E,5R)-1,1,1-trifluoro-4,5-dimethylocta-3,7-dien-2-imine has a molecular weight of 205.22 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5R)-1,1,1-trifluoro-4,5-dimethylocta-3,7-dien-2-imine is sourced from PubChem (CID 162589953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).