(Z)-10,10,11,11,11-pentafluoro-N,2,2,4,4-pentamethylundec-6-en-1-amine

C16H28F5N — CID 89198945

IUPAC(Z)-10,10,11,11,11-pentafluoro-N,2,2,4,4-pentamethylundec-6-en-1-amine
SMILESCNCC(C)(C)CC(C)(C)C/C=C\CCC(F)(F)C(F)(F)F
InChIInChI=1S/C16H28F5N/c1-13(2,11-14(3,4)12-22-5)9-7-6-8-10-15(17,18)16(19,20)21/h6-7,22H,8-12H2,1-5H3/b7-6-
InChIKeyBPJQURYIVNDZEY-SREVYHEPSA-N
MW329.40 g/mol
LogP5.57
Rot. Bonds9

About (Z)-10,10,11,11,11-pentafluoro-N,2,2,4,4-pentamethylundec-6-en-1-amine

(Z)-10,10,11,11,11-pentafluoro-N,2,2,4,4-pentamethylundec-6-en-1-amine (PubChem CID 89198945) has the molecular formula C16H28F5N and a molecular weight of 329.40 g/mol. Its IUPAC name is (Z)-10,10,11,11,11-pentafluoro-N,2,2,4,4-pentamethylundec-6-en-1-amine.

Molecular Properties

Compound Name(Z)-10,10,11,11,11-pentafluoro-N,2,2,4,4-pentamethylundec-6-en-1-amine
PubChem CID89198945
Molecular FormulaC16H28F5N
Molecular Weight329.40 g/mol
Exact Mass329.21
IUPAC Name(Z)-10,10,11,11,11-pentafluoro-N,2,2,4,4-pentamethylundec-6-en-1-amine
SMILESCNCC(C)(C)CC(C)(C)C/C=C\CCC(F)(F)C(F)(F)F
InChIInChI=1S/C16H28F5N/c1-13(2,11-14(3,4)12-22-5)9-7-6-8-10-15(17,18)16(19,20)21/h6-7,22H,8-12H2,1-5H3/b7-6-
InChIKeyBPJQURYIVNDZEY-SREVYHEPSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-10,10,11,11,11-pentafluoro-N,2,2,4,4-pentamethylundec-6-en-1-amine?
The IUPAC name of (Z)-10,10,11,11,11-pentafluoro-N,2,2,4,4-pentamethylundec-6-en-1-amine (CID 89198945) is (Z)-10,10,11,11,11-pentafluoro-N,2,2,4,4-pentamethylundec-6-en-1-amine.
What is the SMILES notation for (Z)-10,10,11,11,11-pentafluoro-N,2,2,4,4-pentamethylundec-6-en-1-amine?
The canonical SMILES for (Z)-10,10,11,11,11-pentafluoro-N,2,2,4,4-pentamethylundec-6-en-1-amine is CNCC(C)(C)CC(C)(C)C/C=C\CCC(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-10,10,11,11,11-pentafluoro-N,2,2,4,4-pentamethylundec-6-en-1-amine?
The InChIKey is BPJQURYIVNDZEY-SREVYHEPSA-N. The full InChI is InChI=1S/C16H28F5N/c1-13(2,11-14(3,4)12-22-5)9-7-6-8-10-15(17,18)16(19,20)21/h6-7,22H,8-12H2,1-5H3/b7-6-.
What are the key properties of (Z)-10,10,11,11,11-pentafluoro-N,2,2,4,4-pentamethylundec-6-en-1-amine?
(Z)-10,10,11,11,11-pentafluoro-N,2,2,4,4-pentamethylundec-6-en-1-amine has a molecular weight of 329.40 g/mol, XLogP of 5.57, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-10,10,11,11,11-pentafluoro-N,2,2,4,4-pentamethylundec-6-en-1-amine is sourced from PubChem (CID 89198945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).