5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine

C8H10F3N — CID 145149546

IUPAC5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
SMILESC=C/C(CC(F)(F)F)=N\C=C/C
InChIInChI=1S/C8H10F3N/c1-3-5-12-7(4-2)6-8(9,10)11/h3-5H,2,6H2,1H3/b5-3-,12-7+
InChIKeySEECOVXJCKBAOH-OIVCMARKSA-N
MW177.17 g/mol
LogP3.10
Rot. Bonds3

About 5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine

5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine (PubChem CID 145149546) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
PubChem CID145149546
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
SMILESC=C/C(CC(F)(F)F)=N\C=C/C
InChIInChI=1S/C8H10F3N/c1-3-5-12-7(4-2)6-8(9,10)11/h3-5H,2,6H2,1H3/b5-3-,12-7+
InChIKeySEECOVXJCKBAOH-OIVCMARKSA-N
XLogP3.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 53.10
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 5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine?
The IUPAC name of 5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine (CID 145149546) is 5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine.
What is the SMILES notation for 5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine?
The canonical SMILES for 5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine is C=C/C(CC(F)(F)F)=N\C=C/C.
What is the InChIKey of 5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine?
The InChIKey is SEECOVXJCKBAOH-OIVCMARKSA-N. The full InChI is InChI=1S/C8H10F3N/c1-3-5-12-7(4-2)6-8(9,10)11/h3-5H,2,6H2,1H3/b5-3-,12-7+.
What are the key properties of 5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine?
5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine has a molecular weight of 177.17 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine is sourced from PubChem (CID 145149546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).