(3E,5Z)-N-ethyl-3-(fluoromethyl)-7-methylocta-1,3,5,7-tetraen-4-amine

C12H18FN — CID 145147196

IUPAC(3E,5Z)-N-ethyl-3-(fluoromethyl)-7-methylocta-1,3,5,7-tetraen-4-amine
SMILESC=C/C(CF)=C(/C=C\C(=C)C)NCC
InChIInChI=1S/C12H18FN/c1-5-11(9-13)12(14-6-2)8-7-10(3)4/h5,7-8,14H,1,3,6,9H2,2,4H3/b8-7-,12-11+
InChIKeyDLLRUKXNUFLMGB-OFALOCIGSA-N
MW195.28 g/mol
LogP3.14
Rot. Bonds6

About (3E,5Z)-N-ethyl-3-(fluoromethyl)-7-methylocta-1,3,5,7-tetraen-4-amine

(3E,5Z)-N-ethyl-3-(fluoromethyl)-7-methylocta-1,3,5,7-tetraen-4-amine (PubChem CID 145147196) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is (3E,5Z)-N-ethyl-3-(fluoromethyl)-7-methylocta-1,3,5,7-tetraen-4-amine.

Molecular Properties

Compound Name(3E,5Z)-N-ethyl-3-(fluoromethyl)-7-methylocta-1,3,5,7-tetraen-4-amine
PubChem CID145147196
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name(3E,5Z)-N-ethyl-3-(fluoromethyl)-7-methylocta-1,3,5,7-tetraen-4-amine
SMILESC=C/C(CF)=C(/C=C\C(=C)C)NCC
InChIInChI=1S/C12H18FN/c1-5-11(9-13)12(14-6-2)8-7-10(3)4/h5,7-8,14H,1,3,6,9H2,2,4H3/b8-7-,12-11+
InChIKeyDLLRUKXNUFLMGB-OFALOCIGSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.14
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 (3E,5Z)-N-ethyl-3-(fluoromethyl)-7-methylocta-1,3,5,7-tetraen-4-amine?
The IUPAC name of (3E,5Z)-N-ethyl-3-(fluoromethyl)-7-methylocta-1,3,5,7-tetraen-4-amine (CID 145147196) is (3E,5Z)-N-ethyl-3-(fluoromethyl)-7-methylocta-1,3,5,7-tetraen-4-amine.
What is the SMILES notation for (3E,5Z)-N-ethyl-3-(fluoromethyl)-7-methylocta-1,3,5,7-tetraen-4-amine?
The canonical SMILES for (3E,5Z)-N-ethyl-3-(fluoromethyl)-7-methylocta-1,3,5,7-tetraen-4-amine is C=C/C(CF)=C(/C=C\C(=C)C)NCC.
What is the InChIKey of (3E,5Z)-N-ethyl-3-(fluoromethyl)-7-methylocta-1,3,5,7-tetraen-4-amine?
The InChIKey is DLLRUKXNUFLMGB-OFALOCIGSA-N. The full InChI is InChI=1S/C12H18FN/c1-5-11(9-13)12(14-6-2)8-7-10(3)4/h5,7-8,14H,1,3,6,9H2,2,4H3/b8-7-,12-11+.
What are the key properties of (3E,5Z)-N-ethyl-3-(fluoromethyl)-7-methylocta-1,3,5,7-tetraen-4-amine?
(3E,5Z)-N-ethyl-3-(fluoromethyl)-7-methylocta-1,3,5,7-tetraen-4-amine has a molecular weight of 195.28 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-ethyl-3-(fluoromethyl)-7-methylocta-1,3,5,7-tetraen-4-amine is sourced from PubChem (CID 145147196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).