(E)-8,8,8-trifluoro-N-methyloct-3-en-1-amine

C9H16F3N — CID 115519682

IUPAC(E)-8,8,8-trifluoro-N-methyloct-3-en-1-amine
SMILESCNCC/C=C/CCCC(F)(F)F
InChIInChI=1S/C9H16F3N/c1-13-8-6-4-2-3-5-7-9(10,11)12/h2,4,13H,3,5-8H2,1H3/b4-2+
InChIKeyLSJOBAYEMVJQPM-DUXPYHPUSA-N
MW195.23 g/mol
LogP2.88
Rot. Bonds6

About (E)-8,8,8-trifluoro-N-methyloct-3-en-1-amine

(E)-8,8,8-trifluoro-N-methyloct-3-en-1-amine (PubChem CID 115519682) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is (E)-8,8,8-trifluoro-N-methyloct-3-en-1-amine.

Molecular Properties

Compound Name(E)-8,8,8-trifluoro-N-methyloct-3-en-1-amine
PubChem CID115519682
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name(E)-8,8,8-trifluoro-N-methyloct-3-en-1-amine
SMILESCNCC/C=C/CCCC(F)(F)F
InChIInChI=1S/C9H16F3N/c1-13-8-6-4-2-3-5-7-9(10,11)12/h2,4,13H,3,5-8H2,1H3/b4-2+
InChIKeyLSJOBAYEMVJQPM-DUXPYHPUSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyloct-3-en-1-amine
CID 79592255
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(E)-1,1,1-trifluorodec-4-ene
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3-(methylamino)-N-(5,5,5-trifluoropentyl)propanamide
CID 115519420
(E)-4-bromo-N-methylbut-3-en-1-amine
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N-methyl-3-(3,3,3-trifluoropropoxy)propan-1-amine
CID 82956013
16,16,16-trifluorohexadec-2-enal
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N-methyl-4-silylbut-3-en-1-amine
CID 154510120
N-methylhept-3-en-6-yn-1-amine
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Frequently Asked Questions

What is the IUPAC name of (E)-8,8,8-trifluoro-N-methyloct-3-en-1-amine?
The IUPAC name of (E)-8,8,8-trifluoro-N-methyloct-3-en-1-amine (CID 115519682) is (E)-8,8,8-trifluoro-N-methyloct-3-en-1-amine.
What is the SMILES notation for (E)-8,8,8-trifluoro-N-methyloct-3-en-1-amine?
The canonical SMILES for (E)-8,8,8-trifluoro-N-methyloct-3-en-1-amine is CNCC/C=C/CCCC(F)(F)F.
What is the InChIKey of (E)-8,8,8-trifluoro-N-methyloct-3-en-1-amine?
The InChIKey is LSJOBAYEMVJQPM-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H16F3N/c1-13-8-6-4-2-3-5-7-9(10,11)12/h2,4,13H,3,5-8H2,1H3/b4-2+.
What are the key properties of (E)-8,8,8-trifluoro-N-methyloct-3-en-1-amine?
(E)-8,8,8-trifluoro-N-methyloct-3-en-1-amine has a molecular weight of 195.23 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8,8,8-trifluoro-N-methyloct-3-en-1-amine is sourced from PubChem (CID 115519682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).