(E)-4-chloro-1,1,1-trifluoro-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine

C11H15ClF3N — CID 162613217

IUPAC(E)-4-chloro-1,1,1-trifluoro-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine
SMILESCC/C(C)=C(C)/N=C(/C=C(\C)Cl)C(F)(F)F
InChIInChI=1S/C11H15ClF3N/c1-5-7(2)9(4)16-10(6-8(3)12)11(13,14)15/h6H,5H2,1-4H3/b8-6+,9-7+,16-10-
InChIKeyRDGXLFAQWRZNAV-FNXQSBCCSA-N
MW253.69 g/mol
LogP4.84
Rot. Bonds3

About (E)-4-chloro-1,1,1-trifluoro-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine

(E)-4-chloro-1,1,1-trifluoro-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine (PubChem CID 162613217) has the molecular formula C11H15ClF3N and a molecular weight of 253.69 g/mol. Its IUPAC name is (E)-4-chloro-1,1,1-trifluoro-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine.

Molecular Properties

Compound Name(E)-4-chloro-1,1,1-trifluoro-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine
PubChem CID162613217
Molecular FormulaC11H15ClF3N
Molecular Weight253.69 g/mol
Exact Mass253.08
IUPAC Name(E)-4-chloro-1,1,1-trifluoro-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine
SMILESCC/C(C)=C(C)/N=C(/C=C(\C)Cl)C(F)(F)F
InChIInChI=1S/C11H15ClF3N/c1-5-7(2)9(4)16-10(6-8(3)12)11(13,14)15/h6H,5H2,1-4H3/b8-6+,9-7+,16-10-
InChIKeyRDGXLFAQWRZNAV-FNXQSBCCSA-N
XLogP4.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-chloro-1,1,1-trifluoro-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine?
The IUPAC name of (E)-4-chloro-1,1,1-trifluoro-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine (CID 162613217) is (E)-4-chloro-1,1,1-trifluoro-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine.
What is the SMILES notation for (E)-4-chloro-1,1,1-trifluoro-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine?
The canonical SMILES for (E)-4-chloro-1,1,1-trifluoro-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine is CC/C(C)=C(C)/N=C(/C=C(\C)Cl)C(F)(F)F.
What is the InChIKey of (E)-4-chloro-1,1,1-trifluoro-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine?
The InChIKey is RDGXLFAQWRZNAV-FNXQSBCCSA-N. The full InChI is InChI=1S/C11H15ClF3N/c1-5-7(2)9(4)16-10(6-8(3)12)11(13,14)15/h6H,5H2,1-4H3/b8-6+,9-7+,16-10-.
What are the key properties of (E)-4-chloro-1,1,1-trifluoro-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine?
(E)-4-chloro-1,1,1-trifluoro-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine has a molecular weight of 253.69 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-chloro-1,1,1-trifluoro-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine is sourced from PubChem (CID 162613217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).