(3Z)-5-(1,1,2,2,2-pentafluoroethoxy)hexa-1,3,5-trien-2-amine

C8H8F5NO — CID 143764486

IUPAC(3Z)-5-(1,1,2,2,2-pentafluoroethoxy)hexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C)OC(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F5NO/c1-5(14)3-4-6(2)15-8(12,13)7(9,10)11/h3-4H,1-2,14H2/b4-3-
InChIKeyGWTPXLTVLKGRCJ-ARJAWSKDSA-N
MW229.15 g/mol
LogP2.70
Rot. Bonds4

About (3Z)-5-(1,1,2,2,2-pentafluoroethoxy)hexa-1,3,5-trien-2-amine

(3Z)-5-(1,1,2,2,2-pentafluoroethoxy)hexa-1,3,5-trien-2-amine (PubChem CID 143764486) has the molecular formula C8H8F5NO and a molecular weight of 229.15 g/mol. Its IUPAC name is (3Z)-5-(1,1,2,2,2-pentafluoroethoxy)hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-5-(1,1,2,2,2-pentafluoroethoxy)hexa-1,3,5-trien-2-amine
PubChem CID143764486
Molecular FormulaC8H8F5NO
Molecular Weight229.15 g/mol
Exact Mass229.05
IUPAC Name(3Z)-5-(1,1,2,2,2-pentafluoroethoxy)hexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C)OC(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F5NO/c1-5(14)3-4-6(2)15-8(12,13)7(9,10)11/h3-4H,1-2,14H2/b4-3-
InChIKeyGWTPXLTVLKGRCJ-ARJAWSKDSA-N
XLogP2.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(1,1,2,2,2-pentafluoroethoxy)hexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-5-(1,1,2,2,2-pentafluoroethoxy)hexa-1,3,5-trien-2-amine (CID 143764486) is (3Z)-5-(1,1,2,2,2-pentafluoroethoxy)hexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-5-(1,1,2,2,2-pentafluoroethoxy)hexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-5-(1,1,2,2,2-pentafluoroethoxy)hexa-1,3,5-trien-2-amine is C=C(N)/C=C\C(=C)OC(F)(F)C(F)(F)F.
What is the InChIKey of (3Z)-5-(1,1,2,2,2-pentafluoroethoxy)hexa-1,3,5-trien-2-amine?
The InChIKey is GWTPXLTVLKGRCJ-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H8F5NO/c1-5(14)3-4-6(2)15-8(12,13)7(9,10)11/h3-4H,1-2,14H2/b4-3-.
What are the key properties of (3Z)-5-(1,1,2,2,2-pentafluoroethoxy)hexa-1,3,5-trien-2-amine?
(3Z)-5-(1,1,2,2,2-pentafluoroethoxy)hexa-1,3,5-trien-2-amine has a molecular weight of 229.15 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(1,1,2,2,2-pentafluoroethoxy)hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 143764486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).