(E)-4-chloro-1,1,1-trifluoro-N-methylpent-3-en-2-imine

C6H7ClF3N — CID 91330788

IUPAC(E)-4-chloro-1,1,1-trifluoro-N-methylpent-3-en-2-imine
SMILESC/N=C(\C=C(/C)Cl)C(F)(F)F
InChIInChI=1S/C6H7ClF3N/c1-4(7)3-5(11-2)6(8,9)10/h3H,1-2H3/b4-3+,11-5+
InChIKeyMJUBIVXPTASBSY-ZHBGKXFASA-N
MW185.58 g/mol
LogP2.76
Rot. Bonds1

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

(E)-4-chloro-1,1,1-trifluoro-N-methylpent-3-en-2-imine (PubChem CID 91330788) has the molecular formula C6H7ClF3N and a molecular weight of 185.58 g/mol. Its IUPAC name is (E)-4-chloro-1,1,1-trifluoro-N-methylpent-3-en-2-imine.

Molecular Properties

Compound Name(E)-4-chloro-1,1,1-trifluoro-N-methylpent-3-en-2-imine
PubChem CID91330788
Molecular FormulaC6H7ClF3N
Molecular Weight185.58 g/mol
Exact Mass185.02
IUPAC Name(E)-4-chloro-1,1,1-trifluoro-N-methylpent-3-en-2-imine
SMILESC/N=C(\C=C(/C)Cl)C(F)(F)F
InChIInChI=1S/C6H7ClF3N/c1-4(7)3-5(11-2)6(8,9)10/h3H,1-2H3/b4-3+,11-5+
InChIKeyMJUBIVXPTASBSY-ZHBGKXFASA-N
XLogP2.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.58
LogP ≤ 52.76
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-methylpent-3-en-2-imine?
The IUPAC name of (E)-4-chloro-1,1,1-trifluoro-N-methylpent-3-en-2-imine (CID 91330788) is (E)-4-chloro-1,1,1-trifluoro-N-methylpent-3-en-2-imine.
What is the SMILES notation for (E)-4-chloro-1,1,1-trifluoro-N-methylpent-3-en-2-imine?
The canonical SMILES for (E)-4-chloro-1,1,1-trifluoro-N-methylpent-3-en-2-imine is C/N=C(\C=C(/C)Cl)C(F)(F)F.
What is the InChIKey of (E)-4-chloro-1,1,1-trifluoro-N-methylpent-3-en-2-imine?
The InChIKey is MJUBIVXPTASBSY-ZHBGKXFASA-N. The full InChI is InChI=1S/C6H7ClF3N/c1-4(7)3-5(11-2)6(8,9)10/h3H,1-2H3/b4-3+,11-5+.
What are the key properties of (E)-4-chloro-1,1,1-trifluoro-N-methylpent-3-en-2-imine?
(E)-4-chloro-1,1,1-trifluoro-N-methylpent-3-en-2-imine has a molecular weight of 185.58 g/mol, XLogP of 2.76, 1 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-methylpent-3-en-2-imine is sourced from PubChem (CID 91330788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).