(E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine

C9H14F3N — CID 123586957

IUPAC(E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine
SMILESCC/C(C)=C/C=N/CCC(F)(F)F
InChIInChI=1S/C9H14F3N/c1-3-8(2)4-6-13-7-5-9(10,11)12/h4,6H,3,5,7H2,1-2H3/b8-4+,13-6+
InChIKeyDJSGPJWDUDPYGG-OUMYDGPMSA-N
MW193.21 g/mol
LogP3.37
Rot. Bonds4

About (E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine

(E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine (PubChem CID 123586957) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is (E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine
PubChem CID123586957
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name(E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine
SMILESCC/C(C)=C/C=N/CCC(F)(F)F
InChIInChI=1S/C9H14F3N/c1-3-8(2)4-6-13-7-5-9(10,11)12/h4,6H,3,5,7H2,1-2H3/b8-4+,13-6+
InChIKeyDJSGPJWDUDPYGG-OUMYDGPMSA-N
XLogP3.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 53.37
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)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine?
The IUPAC name of (E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine (CID 123586957) is (E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine.
What is the SMILES notation for (E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine?
The canonical SMILES for (E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine is CC/C(C)=C/C=N/CCC(F)(F)F.
What is the InChIKey of (E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine?
The InChIKey is DJSGPJWDUDPYGG-OUMYDGPMSA-N. The full InChI is InChI=1S/C9H14F3N/c1-3-8(2)4-6-13-7-5-9(10,11)12/h4,6H,3,5,7H2,1-2H3/b8-4+,13-6+.
What are the key properties of (E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine?
(E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine has a molecular weight of 193.21 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine is sourced from PubChem (CID 123586957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).