(E,2E)-N,3,5,5-tetramethyl-2-(1,1,1-trifluoropropan-2-ylidene)hept-3-en-1-imine

C14H22F3N — CID 134466390

IUPAC(E,2E)-N,3,5,5-tetramethyl-2-(1,1,1-trifluoropropan-2-ylidene)hept-3-en-1-imine
SMILESCCC(C)(C)/C=C(C)/C(/C=N/C)=C(/C)C(F)(F)F
InChIInChI=1S/C14H22F3N/c1-7-13(4,5)8-10(2)12(9-18-6)11(3)14(15,16)17/h8-9H,7H2,1-6H3/b10-8+,12-11-,18-9+
InChIKeyYPPUXURDTPTBCN-JWGBFBROSA-N
MW261.33 g/mol
LogP4.95
Rot. Bonds4

About (E,2E)-N,3,5,5-tetramethyl-2-(1,1,1-trifluoropropan-2-ylidene)hept-3-en-1-imine

(E,2E)-N,3,5,5-tetramethyl-2-(1,1,1-trifluoropropan-2-ylidene)hept-3-en-1-imine (PubChem CID 134466390) has the molecular formula C14H22F3N and a molecular weight of 261.33 g/mol. Its IUPAC name is (E,2E)-N,3,5,5-tetramethyl-2-(1,1,1-trifluoropropan-2-ylidene)hept-3-en-1-imine.

Molecular Properties

Compound Name(E,2E)-N,3,5,5-tetramethyl-2-(1,1,1-trifluoropropan-2-ylidene)hept-3-en-1-imine
PubChem CID134466390
Molecular FormulaC14H22F3N
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name(E,2E)-N,3,5,5-tetramethyl-2-(1,1,1-trifluoropropan-2-ylidene)hept-3-en-1-imine
SMILESCCC(C)(C)/C=C(C)/C(/C=N/C)=C(/C)C(F)(F)F
InChIInChI=1S/C14H22F3N/c1-7-13(4,5)8-10(2)12(9-18-6)11(3)14(15,16)17/h8-9H,7H2,1-6H3/b10-8+,12-11-,18-9+
InChIKeyYPPUXURDTPTBCN-JWGBFBROSA-N
XLogP4.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 54.95
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 (E,2E)-N,3,5,5-tetramethyl-2-(1,1,1-trifluoropropan-2-ylidene)hept-3-en-1-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E,2E)-N,3,5,5-tetramethyl-2-(1,1,1-trifluoropropan-2-ylidene)hept-3-en-1-imine?
The IUPAC name of (E,2E)-N,3,5,5-tetramethyl-2-(1,1,1-trifluoropropan-2-ylidene)hept-3-en-1-imine (CID 134466390) is (E,2E)-N,3,5,5-tetramethyl-2-(1,1,1-trifluoropropan-2-ylidene)hept-3-en-1-imine.
What is the SMILES notation for (E,2E)-N,3,5,5-tetramethyl-2-(1,1,1-trifluoropropan-2-ylidene)hept-3-en-1-imine?
The canonical SMILES for (E,2E)-N,3,5,5-tetramethyl-2-(1,1,1-trifluoropropan-2-ylidene)hept-3-en-1-imine is CCC(C)(C)/C=C(C)/C(/C=N/C)=C(/C)C(F)(F)F.
What is the InChIKey of (E,2E)-N,3,5,5-tetramethyl-2-(1,1,1-trifluoropropan-2-ylidene)hept-3-en-1-imine?
The InChIKey is YPPUXURDTPTBCN-JWGBFBROSA-N. The full InChI is InChI=1S/C14H22F3N/c1-7-13(4,5)8-10(2)12(9-18-6)11(3)14(15,16)17/h8-9H,7H2,1-6H3/b10-8+,12-11-,18-9+.
What are the key properties of (E,2E)-N,3,5,5-tetramethyl-2-(1,1,1-trifluoropropan-2-ylidene)hept-3-en-1-imine?
(E,2E)-N,3,5,5-tetramethyl-2-(1,1,1-trifluoropropan-2-ylidene)hept-3-en-1-imine has a molecular weight of 261.33 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-N,3,5,5-tetramethyl-2-(1,1,1-trifluoropropan-2-ylidene)hept-3-en-1-imine is sourced from PubChem (CID 134466390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).