N-[(Z)-5,5,5-trifluoro-3-methylidenepent-1-enyl]pentan-2-imine

C11H16F3N — CID 168972591

IUPACN-[(Z)-5,5,5-trifluoro-3-methylidenepent-1-enyl]pentan-2-imine
SMILESC=C(/C=C\N=C(/C)CCC)CC(F)(F)F
InChIInChI=1S/C11H16F3N/c1-4-5-10(3)15-7-6-9(2)8-11(12,13)14/h6-7H,2,4-5,8H2,1,3H3/b7-6-,15-10+
InChIKeyDRKFKFHWAFFXPG-GZJRMXIGSA-N
MW219.25 g/mol
LogP4.27
Rot. Bonds5

About N-[(Z)-5,5,5-trifluoro-3-methylidenepent-1-enyl]pentan-2-imine

N-[(Z)-5,5,5-trifluoro-3-methylidenepent-1-enyl]pentan-2-imine (PubChem CID 168972591) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is N-[(Z)-5,5,5-trifluoro-3-methylidenepent-1-enyl]pentan-2-imine.

Molecular Properties

Compound NameN-[(Z)-5,5,5-trifluoro-3-methylidenepent-1-enyl]pentan-2-imine
PubChem CID168972591
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC NameN-[(Z)-5,5,5-trifluoro-3-methylidenepent-1-enyl]pentan-2-imine
SMILESC=C(/C=C\N=C(/C)CCC)CC(F)(F)F
InChIInChI=1S/C11H16F3N/c1-4-5-10(3)15-7-6-9(2)8-11(12,13)14/h6-7H,2,4-5,8H2,1,3H3/b7-6-,15-10+
InChIKeyDRKFKFHWAFFXPG-GZJRMXIGSA-N
XLogP4.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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'}

Analyze N-[(Z)-5,5,5-trifluoro-3-methylidenepent-1-enyl]pentan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-2-ethenylhept-1-enyl]-1,1,1-trifluorohexan-2-imine
CID 121405090
1,1-difluoro-3-methyl-N-[(Z)-3-methylbut-1-enyl]butan-2-imine
CID 139305458
Ethane;6-ethyl-2-(2,2,2-trifluoroethyl)-1-azacyclohepta-1,3,4,6-tetraene
CID 143345032
ethane;5-ethyl-2-(trifluoromethyl)-3H-azepine
CID 143347099
ethane;5-methyl-2-(trifluoromethyl)-3H-azepine
CID 143347215
Ethane;2-(trifluoromethyl)-3,4-dihydropyridine
CID 144625238
ethane;(Z)-7,7,7-trifluoro-N-[(Z)-prop-1-enyl]hept-2-en-4-imine
CID 144801043
ethane;6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine
CID 144801050
ethane;5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
CID 145149545
N-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]butan-2-imine
CID 155416552
ethane;1,1,1-trifluoro-N-[(1Z)-2-methylbuta-1,3-dienyl]propan-2-imine
CID 155731310
(3E,5E)-3-ethenyl-N-(2-methylprop-1-enyl)-6-(trifluoromethyl)nona-3,5-dien-2-imine
CID 156184674

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-5,5,5-trifluoro-3-methylidenepent-1-enyl]pentan-2-imine?
The IUPAC name of N-[(Z)-5,5,5-trifluoro-3-methylidenepent-1-enyl]pentan-2-imine (CID 168972591) is N-[(Z)-5,5,5-trifluoro-3-methylidenepent-1-enyl]pentan-2-imine.
What is the SMILES notation for N-[(Z)-5,5,5-trifluoro-3-methylidenepent-1-enyl]pentan-2-imine?
The canonical SMILES for N-[(Z)-5,5,5-trifluoro-3-methylidenepent-1-enyl]pentan-2-imine is C=C(/C=C\N=C(/C)CCC)CC(F)(F)F.
What is the InChIKey of N-[(Z)-5,5,5-trifluoro-3-methylidenepent-1-enyl]pentan-2-imine?
The InChIKey is DRKFKFHWAFFXPG-GZJRMXIGSA-N. The full InChI is InChI=1S/C11H16F3N/c1-4-5-10(3)15-7-6-9(2)8-11(12,13)14/h6-7H,2,4-5,8H2,1,3H3/b7-6-,15-10+.
What are the key properties of N-[(Z)-5,5,5-trifluoro-3-methylidenepent-1-enyl]pentan-2-imine?
N-[(Z)-5,5,5-trifluoro-3-methylidenepent-1-enyl]pentan-2-imine has a molecular weight of 219.25 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-5,5,5-trifluoro-3-methylidenepent-1-enyl]pentan-2-imine is sourced from PubChem (CID 168972591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).