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

C11H16F3N — CID 168972577

IUPACN-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine
SMILESC=C(/C=C(C)\N=C(/C)CCC)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-5-6-9(3)15-10(4)7-8(2)11(12,13)14/h7H,2,5-6H2,1,3-4H3/b10-7-,15-9+
InChIKeyWPVMERFJIFBNBI-OPRJSYIRSA-N
MW219.25 g/mol
LogP4.27
Rot. Bonds4

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

N-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine (PubChem CID 168972577) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is N-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine.

Molecular Properties

Compound NameN-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine
PubChem CID168972577
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC NameN-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine
SMILESC=C(/C=C(C)\N=C(/C)CCC)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-5-6-9(3)15-10(4)7-8(2)11(12,13)14/h7H,2,5-6H2,1,3-4H3/b10-7-,15-9+
InChIKeyWPVMERFJIFBNBI-OPRJSYIRSA-N
XLogP4.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 54.27
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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Related Compounds

(Z)-1,1,1-trifluoro-N,3-bis(prop-1-en-2-yl)hex-3-en-2-imine
CID 89010256
N-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine
CID 123669970
N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine
CID 126612017
N-[(E)-3-(2,4,6-trifluorocyclohexa-1,3-dien-1-yl)but-2-en-2-yl]propan-2-imine
CID 134342924
(E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine
CID 139518460
N-[(2Z,4Z,6E)-3-(difluoromethyl)-5,7-dimethylnona-2,4,6-trien-2-yl]butan-2-imine
CID 139564602
2-ethyl-5,7-difluoro-3-methyl-8H-cyclohepta[b]pyridine
CID 144450124
2,3,6,7-tetramethyl-4-(trifluoromethyl)-3H-azepine
CID 145063672
(E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine
CID 145128279
2,5-difluoro-6-propan-2-ylidene-N-prop-1-en-2-ylcyclohexa-2,4-dien-1-imine
CID 145509766
propane;(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine
CID 153342667
N-[(2Z,6E,8E)-8-fluoro-6-methylundeca-2,6,8,10-tetraen-3-yl]propan-2-imine
CID 156544831

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine?
The IUPAC name of N-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine (CID 168972577) is N-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine.
What is the SMILES notation for N-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine?
The canonical SMILES for N-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine is C=C(/C=C(C)\N=C(/C)CCC)C(F)(F)F.
What is the InChIKey of N-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine?
The InChIKey is WPVMERFJIFBNBI-OPRJSYIRSA-N. The full InChI is InChI=1S/C11H16F3N/c1-5-6-9(3)15-10(4)7-8(2)11(12,13)14/h7H,2,5-6H2,1,3-4H3/b10-7-,15-9+.
What are the key properties of N-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine?
N-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine has a molecular weight of 219.25 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]pentan-2-imine is sourced from PubChem (CID 168972577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).