(2Z,4Z,6Z)-1,1,1-trifluoro-4-propan-2-ylocta-2,4,6-trien-2-amine

C11H16F3N — CID 146379720

IUPAC(2Z,4Z,6Z)-1,1,1-trifluoro-4-propan-2-ylocta-2,4,6-trien-2-amine
SMILESC/C=C\C=C(/C=C(\N)C(F)(F)F)C(C)C
InChIInChI=1S/C11H16F3N/c1-4-5-6-9(8(2)3)7-10(15)11(12,13)14/h4-8H,15H2,1-3H3/b5-4-,9-6+,10-7-
InChIKeyMLACNYVIMUNKNU-NRUPWVMRSA-N
MW219.25 g/mol
LogP3.55
Rot. Bonds3

About (2Z,4Z,6Z)-1,1,1-trifluoro-4-propan-2-ylocta-2,4,6-trien-2-amine

(2Z,4Z,6Z)-1,1,1-trifluoro-4-propan-2-ylocta-2,4,6-trien-2-amine (PubChem CID 146379720) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is (2Z,4Z,6Z)-1,1,1-trifluoro-4-propan-2-ylocta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2Z,4Z,6Z)-1,1,1-trifluoro-4-propan-2-ylocta-2,4,6-trien-2-amine
PubChem CID146379720
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name(2Z,4Z,6Z)-1,1,1-trifluoro-4-propan-2-ylocta-2,4,6-trien-2-amine
SMILESC/C=C\C=C(/C=C(\N)C(F)(F)F)C(C)C
InChIInChI=1S/C11H16F3N/c1-4-5-6-9(8(2)3)7-10(15)11(12,13)14/h4-8H,15H2,1-3H3/b5-4-,9-6+,10-7-
InChIKeyMLACNYVIMUNKNU-NRUPWVMRSA-N
XLogP3.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z)-1,1,1-trifluoro-4-propan-2-ylocta-2,4,6-trien-2-amine?
The IUPAC name of (2Z,4Z,6Z)-1,1,1-trifluoro-4-propan-2-ylocta-2,4,6-trien-2-amine (CID 146379720) is (2Z,4Z,6Z)-1,1,1-trifluoro-4-propan-2-ylocta-2,4,6-trien-2-amine.
What is the SMILES notation for (2Z,4Z,6Z)-1,1,1-trifluoro-4-propan-2-ylocta-2,4,6-trien-2-amine?
The canonical SMILES for (2Z,4Z,6Z)-1,1,1-trifluoro-4-propan-2-ylocta-2,4,6-trien-2-amine is C/C=C\C=C(/C=C(\N)C(F)(F)F)C(C)C.
What is the InChIKey of (2Z,4Z,6Z)-1,1,1-trifluoro-4-propan-2-ylocta-2,4,6-trien-2-amine?
The InChIKey is MLACNYVIMUNKNU-NRUPWVMRSA-N. The full InChI is InChI=1S/C11H16F3N/c1-4-5-6-9(8(2)3)7-10(15)11(12,13)14/h4-8H,15H2,1-3H3/b5-4-,9-6+,10-7-.
What are the key properties of (2Z,4Z,6Z)-1,1,1-trifluoro-4-propan-2-ylocta-2,4,6-trien-2-amine?
(2Z,4Z,6Z)-1,1,1-trifluoro-4-propan-2-ylocta-2,4,6-trien-2-amine has a molecular weight of 219.25 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z)-1,1,1-trifluoro-4-propan-2-ylocta-2,4,6-trien-2-amine is sourced from PubChem (CID 146379720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).