(2E,4E)-8,8,8-trifluoro-5-methylocta-2,4-dien-3-amine

C9H14F3N — CID 174012843

IUPAC(2E,4E)-8,8,8-trifluoro-5-methylocta-2,4-dien-3-amine
SMILESC/C=C(N)\C=C(/C)CCC(F)(F)F
InChIInChI=1S/C9H14F3N/c1-3-8(13)6-7(2)4-5-9(10,11)12/h3,6H,4-5,13H2,1-2H3/b7-6+,8-3+
InChIKeyIZMQLDARCWGKFS-KQYLTSGPSA-N
MW193.21 g/mol
LogP3.14
Rot. Bonds3

About (2E,4E)-8,8,8-trifluoro-5-methylocta-2,4-dien-3-amine

(2E,4E)-8,8,8-trifluoro-5-methylocta-2,4-dien-3-amine (PubChem CID 174012843) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is (2E,4E)-8,8,8-trifluoro-5-methylocta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4E)-8,8,8-trifluoro-5-methylocta-2,4-dien-3-amine
PubChem CID174012843
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name(2E,4E)-8,8,8-trifluoro-5-methylocta-2,4-dien-3-amine
SMILESC/C=C(N)\C=C(/C)CCC(F)(F)F
InChIInChI=1S/C9H14F3N/c1-3-8(13)6-7(2)4-5-9(10,11)12/h3,6H,4-5,13H2,1-2H3/b7-6+,8-3+
InChIKeyIZMQLDARCWGKFS-KQYLTSGPSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
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 (2E,4E)-8,8,8-trifluoro-5-methylocta-2,4-dien-3-amine?
The IUPAC name of (2E,4E)-8,8,8-trifluoro-5-methylocta-2,4-dien-3-amine (CID 174012843) is (2E,4E)-8,8,8-trifluoro-5-methylocta-2,4-dien-3-amine.
What is the SMILES notation for (2E,4E)-8,8,8-trifluoro-5-methylocta-2,4-dien-3-amine?
The canonical SMILES for (2E,4E)-8,8,8-trifluoro-5-methylocta-2,4-dien-3-amine is C/C=C(N)\C=C(/C)CCC(F)(F)F.
What is the InChIKey of (2E,4E)-8,8,8-trifluoro-5-methylocta-2,4-dien-3-amine?
The InChIKey is IZMQLDARCWGKFS-KQYLTSGPSA-N. The full InChI is InChI=1S/C9H14F3N/c1-3-8(13)6-7(2)4-5-9(10,11)12/h3,6H,4-5,13H2,1-2H3/b7-6+,8-3+.
What are the key properties of (2E,4E)-8,8,8-trifluoro-5-methylocta-2,4-dien-3-amine?
(2E,4E)-8,8,8-trifluoro-5-methylocta-2,4-dien-3-amine has a molecular weight of 193.21 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-8,8,8-trifluoro-5-methylocta-2,4-dien-3-amine is sourced from PubChem (CID 174012843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).