(3E,5Z)-N-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-4-amine

C14H16FN — CID 130197563

IUPAC(3E,5Z)-N-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-4-amine
SMILESC=C/C=C\C(=C/C=C)N(F)/C(C=C)=C/C=C
InChIInChI=1S/C14H16FN/c1-5-9-12-14(11-7-3)16(15)13(8-4)10-6-2/h5-12H,1-4H2/b12-9-,13-10+,14-11+
InChIKeyOGFPMFUGHJGDAF-IGHNMMEESA-N
MW217.29 g/mol
LogP4.24
Rot. Bonds7

About (3E,5Z)-N-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-4-amine

(3E,5Z)-N-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-4-amine (PubChem CID 130197563) has the molecular formula C14H16FN and a molecular weight of 217.29 g/mol. Its IUPAC name is (3E,5Z)-N-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-4-amine.

Molecular Properties

Compound Name(3E,5Z)-N-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-4-amine
PubChem CID130197563
Molecular FormulaC14H16FN
Molecular Weight217.29 g/mol
Exact Mass217.13
IUPAC Name(3E,5Z)-N-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-4-amine
SMILESC=C/C=C\C(=C/C=C)N(F)/C(C=C)=C/C=C
InChIInChI=1S/C14H16FN/c1-5-9-12-14(11-7-3)16(15)13(8-4)10-6-2/h5-12H,1-4H2/b12-9-,13-10+,14-11+
InChIKeyOGFPMFUGHJGDAF-IGHNMMEESA-N
XLogP4.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-4-amine?
The IUPAC name of (3E,5Z)-N-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-4-amine (CID 130197563) is (3E,5Z)-N-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-4-amine.
What is the SMILES notation for (3E,5Z)-N-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-4-amine?
The canonical SMILES for (3E,5Z)-N-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-4-amine is C=C/C=C\C(=C/C=C)N(F)/C(C=C)=C/C=C.
What is the InChIKey of (3E,5Z)-N-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-4-amine?
The InChIKey is OGFPMFUGHJGDAF-IGHNMMEESA-N. The full InChI is InChI=1S/C14H16FN/c1-5-9-12-14(11-7-3)16(15)13(8-4)10-6-2/h5-12H,1-4H2/b12-9-,13-10+,14-11+.
What are the key properties of (3E,5Z)-N-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-4-amine?
(3E,5Z)-N-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-4-amine has a molecular weight of 217.29 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-4-amine is sourced from PubChem (CID 130197563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).