N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine

C11H13F6N — CID 168972539

IUPACN-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine
SMILESC=C(/C=C(\N=C(/C)CCC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H13F6N/c1-4-5-8(3)18-9(11(15,16)17)6-7(2)10(12,13)14/h6H,2,4-5H2,1,3H3/b9-6-,18-8+
InChIKeyGXWAZIPLSBRYMV-CEIVJAKRSA-N
MW273.22 g/mol
LogP4.81
Rot. Bonds4

About N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine

N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine (PubChem CID 168972539) has the molecular formula C11H13F6N and a molecular weight of 273.22 g/mol. Its IUPAC name is N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine.

Molecular Properties

Compound NameN-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine
PubChem CID168972539
Molecular FormulaC11H13F6N
Molecular Weight273.22 g/mol
Exact Mass273.10
IUPAC NameN-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine
SMILESC=C(/C=C(\N=C(/C)CCC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H13F6N/c1-4-5-8(3)18-9(11(15,16)17)6-7(2)10(12,13)14/h6H,2,4-5H2,1,3H3/b9-6-,18-8+
InChIKeyGXWAZIPLSBRYMV-CEIVJAKRSA-N
XLogP4.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine?
The IUPAC name of N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine (CID 168972539) is N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine.
What is the SMILES notation for N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine?
The canonical SMILES for N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine is C=C(/C=C(\N=C(/C)CCC)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine?
The InChIKey is GXWAZIPLSBRYMV-CEIVJAKRSA-N. The full InChI is InChI=1S/C11H13F6N/c1-4-5-8(3)18-9(11(15,16)17)6-7(2)10(12,13)14/h6H,2,4-5H2,1,3H3/b9-6-,18-8+.
What are the key properties of N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine?
N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine has a molecular weight of 273.22 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine is sourced from PubChem (CID 168972539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).