(2E,3Z)-5-(difluoromethyl)-2-ethylidene-N-[(3E)-penta-1,3-dien-2-yl]hexa-3,5-dien-1-amine

C14H19F2N — CID 166922309

IUPAC(2E,3Z)-5-(difluoromethyl)-2-ethylidene-N-[(3E)-penta-1,3-dien-2-yl]hexa-3,5-dien-1-amine
SMILESC=C(/C=C/C)NCC(/C=C\C(=C)C(F)F)=C/C
InChIInChI=1S/C14H19F2N/c1-5-7-12(4)17-10-13(6-2)9-8-11(3)14(15)16/h5-9,14,17H,3-4,10H2,1-2H3/b7-5+,9-8-,13-6+
InChIKeyZMHUKUPPIVYZQT-JXZHAQIKSA-N
MW239.31 g/mol
LogP3.99
Rot. Bonds7

About (2E,3Z)-5-(difluoromethyl)-2-ethylidene-N-[(3E)-penta-1,3-dien-2-yl]hexa-3,5-dien-1-amine

(2E,3Z)-5-(difluoromethyl)-2-ethylidene-N-[(3E)-penta-1,3-dien-2-yl]hexa-3,5-dien-1-amine (PubChem CID 166922309) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is (2E,3Z)-5-(difluoromethyl)-2-ethylidene-N-[(3E)-penta-1,3-dien-2-yl]hexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(2E,3Z)-5-(difluoromethyl)-2-ethylidene-N-[(3E)-penta-1,3-dien-2-yl]hexa-3,5-dien-1-amine
PubChem CID166922309
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(2E,3Z)-5-(difluoromethyl)-2-ethylidene-N-[(3E)-penta-1,3-dien-2-yl]hexa-3,5-dien-1-amine
SMILESC=C(/C=C/C)NCC(/C=C\C(=C)C(F)F)=C/C
InChIInChI=1S/C14H19F2N/c1-5-7-12(4)17-10-13(6-2)9-8-11(3)14(15)16/h5-9,14,17H,3-4,10H2,1-2H3/b7-5+,9-8-,13-6+
InChIKeyZMHUKUPPIVYZQT-JXZHAQIKSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-5-(difluoromethyl)-2-ethylidene-N-[(3E)-penta-1,3-dien-2-yl]hexa-3,5-dien-1-amine?
The IUPAC name of (2E,3Z)-5-(difluoromethyl)-2-ethylidene-N-[(3E)-penta-1,3-dien-2-yl]hexa-3,5-dien-1-amine (CID 166922309) is (2E,3Z)-5-(difluoromethyl)-2-ethylidene-N-[(3E)-penta-1,3-dien-2-yl]hexa-3,5-dien-1-amine.
What is the SMILES notation for (2E,3Z)-5-(difluoromethyl)-2-ethylidene-N-[(3E)-penta-1,3-dien-2-yl]hexa-3,5-dien-1-amine?
The canonical SMILES for (2E,3Z)-5-(difluoromethyl)-2-ethylidene-N-[(3E)-penta-1,3-dien-2-yl]hexa-3,5-dien-1-amine is C=C(/C=C/C)NCC(/C=C\C(=C)C(F)F)=C/C.
What is the InChIKey of (2E,3Z)-5-(difluoromethyl)-2-ethylidene-N-[(3E)-penta-1,3-dien-2-yl]hexa-3,5-dien-1-amine?
The InChIKey is ZMHUKUPPIVYZQT-JXZHAQIKSA-N. The full InChI is InChI=1S/C14H19F2N/c1-5-7-12(4)17-10-13(6-2)9-8-11(3)14(15)16/h5-9,14,17H,3-4,10H2,1-2H3/b7-5+,9-8-,13-6+.
What are the key properties of (2E,3Z)-5-(difluoromethyl)-2-ethylidene-N-[(3E)-penta-1,3-dien-2-yl]hexa-3,5-dien-1-amine?
(2E,3Z)-5-(difluoromethyl)-2-ethylidene-N-[(3E)-penta-1,3-dien-2-yl]hexa-3,5-dien-1-amine has a molecular weight of 239.31 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-5-(difluoromethyl)-2-ethylidene-N-[(3E)-penta-1,3-dien-2-yl]hexa-3,5-dien-1-amine is sourced from PubChem (CID 166922309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).