(Z)-5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexadecafluoro-N-propan-2-yldodec-4-en-2-amine

C15H15F16N — CID 134975283

IUPAC(Z)-5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexadecafluoro-N-propan-2-yldodec-4-en-2-amine
SMILESCC(C)NC(C)C/C=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H15F16N/c1-6(2)32-7(3)4-5-8(16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)31/h5-7,32H,4H2,1-3H3/b8-5-
InChIKeyMQFFXKYVMQECLV-YVMONPNESA-N
MW513.26 g/mol
LogP6.99
Rot. Bonds10

About (Z)-5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexadecafluoro-N-propan-2-yldodec-4-en-2-amine

(Z)-5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexadecafluoro-N-propan-2-yldodec-4-en-2-amine (PubChem CID 134975283) has the molecular formula C15H15F16N and a molecular weight of 513.26 g/mol. Its IUPAC name is (Z)-5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexadecafluoro-N-propan-2-yldodec-4-en-2-amine.

Molecular Properties

Compound Name(Z)-5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexadecafluoro-N-propan-2-yldodec-4-en-2-amine
PubChem CID134975283
Molecular FormulaC15H15F16N
Molecular Weight513.26 g/mol
Exact Mass513.09
IUPAC Name(Z)-5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexadecafluoro-N-propan-2-yldodec-4-en-2-amine
SMILESCC(C)NC(C)C/C=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H15F16N/c1-6(2)32-7(3)4-5-8(16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)31/h5-7,32H,4H2,1-3H3/b8-5-
InChIKeyMQFFXKYVMQECLV-YVMONPNESA-N
XLogP6.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.26
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexadecafluoro-N-propan-2-yldodec-4-en-2-amine?
The IUPAC name of (Z)-5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexadecafluoro-N-propan-2-yldodec-4-en-2-amine (CID 134975283) is (Z)-5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexadecafluoro-N-propan-2-yldodec-4-en-2-amine.
What is the SMILES notation for (Z)-5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexadecafluoro-N-propan-2-yldodec-4-en-2-amine?
The canonical SMILES for (Z)-5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexadecafluoro-N-propan-2-yldodec-4-en-2-amine is CC(C)NC(C)C/C=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexadecafluoro-N-propan-2-yldodec-4-en-2-amine?
The InChIKey is MQFFXKYVMQECLV-YVMONPNESA-N. The full InChI is InChI=1S/C15H15F16N/c1-6(2)32-7(3)4-5-8(16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)31/h5-7,32H,4H2,1-3H3/b8-5-.
What are the key properties of (Z)-5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexadecafluoro-N-propan-2-yldodec-4-en-2-amine?
(Z)-5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexadecafluoro-N-propan-2-yldodec-4-en-2-amine has a molecular weight of 513.26 g/mol, XLogP of 6.99, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexadecafluoro-N-propan-2-yldodec-4-en-2-amine is sourced from PubChem (CID 134975283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).