(3Z,5Z)-9,9,10,10,10-pentafluoro-2-methyldeca-1,3,5-triene-3,6-diamine

C11H15F5N2 — CID 138702916

IUPAC(3Z,5Z)-9,9,10,10,10-pentafluoro-2-methyldeca-1,3,5-triene-3,6-diamine
SMILESC=C(C)/C(N)=C/C=C(\N)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H15F5N2/c1-7(2)9(18)4-3-8(17)5-6-10(12,13)11(14,15)16/h3-4H,1,5-6,17-18H2,2H3/b8-3-,9-4-
InChIKeyVMNHCOFLBIBYIA-ZATFKQDHSA-N
MW270.25 g/mol
LogP3.23
Rot. Bonds5

About (3Z,5Z)-9,9,10,10,10-pentafluoro-2-methyldeca-1,3,5-triene-3,6-diamine

(3Z,5Z)-9,9,10,10,10-pentafluoro-2-methyldeca-1,3,5-triene-3,6-diamine (PubChem CID 138702916) has the molecular formula C11H15F5N2 and a molecular weight of 270.25 g/mol. Its IUPAC name is (3Z,5Z)-9,9,10,10,10-pentafluoro-2-methyldeca-1,3,5-triene-3,6-diamine.

Molecular Properties

Compound Name(3Z,5Z)-9,9,10,10,10-pentafluoro-2-methyldeca-1,3,5-triene-3,6-diamine
PubChem CID138702916
Molecular FormulaC11H15F5N2
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name(3Z,5Z)-9,9,10,10,10-pentafluoro-2-methyldeca-1,3,5-triene-3,6-diamine
SMILESC=C(C)/C(N)=C/C=C(\N)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H15F5N2/c1-7(2)9(18)4-3-8(17)5-6-10(12,13)11(14,15)16/h3-4H,1,5-6,17-18H2,2H3/b8-3-,9-4-
InChIKeyVMNHCOFLBIBYIA-ZATFKQDHSA-N
XLogP3.23
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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,5Z)-9,9,10,10,10-pentafluoro-2-methyldeca-1,3,5-triene-3,6-diamine?
The IUPAC name of (3Z,5Z)-9,9,10,10,10-pentafluoro-2-methyldeca-1,3,5-triene-3,6-diamine (CID 138702916) is (3Z,5Z)-9,9,10,10,10-pentafluoro-2-methyldeca-1,3,5-triene-3,6-diamine.
What is the SMILES notation for (3Z,5Z)-9,9,10,10,10-pentafluoro-2-methyldeca-1,3,5-triene-3,6-diamine?
The canonical SMILES for (3Z,5Z)-9,9,10,10,10-pentafluoro-2-methyldeca-1,3,5-triene-3,6-diamine is C=C(C)/C(N)=C/C=C(\N)CCC(F)(F)C(F)(F)F.
What is the InChIKey of (3Z,5Z)-9,9,10,10,10-pentafluoro-2-methyldeca-1,3,5-triene-3,6-diamine?
The InChIKey is VMNHCOFLBIBYIA-ZATFKQDHSA-N. The full InChI is InChI=1S/C11H15F5N2/c1-7(2)9(18)4-3-8(17)5-6-10(12,13)11(14,15)16/h3-4H,1,5-6,17-18H2,2H3/b8-3-,9-4-.
What are the key properties of (3Z,5Z)-9,9,10,10,10-pentafluoro-2-methyldeca-1,3,5-triene-3,6-diamine?
(3Z,5Z)-9,9,10,10,10-pentafluoro-2-methyldeca-1,3,5-triene-3,6-diamine has a molecular weight of 270.25 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-9,9,10,10,10-pentafluoro-2-methyldeca-1,3,5-triene-3,6-diamine is sourced from PubChem (CID 138702916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).